From d0eb20740408161537caed93c3074153218b39d8 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= <32074290+PurplePachyderm@users.noreply.github.com> Date: Wed, 7 Jul 2021 13:42:42 +0200 Subject: [PATCH 01/34] Integration of Verificarlo CI tests (#1) * comment * Update distance test code The distance test has been updated to the latest version, with a first attempt at using vfc_probes inside it * Functional implementation of vfc_probes in the distance tests This commit has the first functional vfc_ci tests. Verificarlo tests should be written over the existing tests, and they can be enabled with the following configure command: QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install --enable-maintainer-mode --enable-vfc_ci CC="verificarlo-f -Mpreprocess -D VFC_CI" FC="verificarlo-f -Mpreprocess -D VFC_CI" --host=x86_64 The --enable-vfc_ci flag will trigger the linking of the vfc_ci library. Moreover, as of now, the "-Mpreprocess" and "-D VFC_CI" flags have to be specified directly here. There is probably an appropriate macro to place those flags into but I couldn't find it yet, and could only manage to build the tests this way. When the VFC_CI preprocessor is defined, somme additional code to register and export the test probes can be executed (see qmckl_distance.org). As of now, the tests are built as normal, even though they are expected to fail : make all make check From there, the test_qmckl_distance (and potentially the others) executable can be called at will. This will typically be done automatically by vfc_ci, but one could manually execute the executable by defining the following env variables : VFC_PROBES_OUTPUT="test.csv" VFC_BACKENDS="libinterflop_ieee.so" depending on the export file and the Verificarlo backend to be used. The next steps will be to define more tests such as this one, and to integrate them into a Verificarlo CI workflow (by writing a vfc_tests_config.json file and using the automatic CI setup command). * Error in FOrtran interface fixed * Added missing Fortran interfaces * Modify distance test and install process integration All probes are now ignored using only the preprocessor (instead of checking for a facultative argument) in the distance test. Moreover,preprocessing can now be enabled correctly using FCFLAGS (the issue seemed to come from the order of the arguments passed to gfortran/verificarlo-f with the preprocessor arg having to come first). * Add vfc_probes to AO tests vfc_probes have been added to qmckl_ao.org in the same way as qmckl_distance.org, which means that it can be enabled or disabled at compile time using the --enable-vfc_ci option. qmckl_distance.org has been slightly modified with a better indentation, and configure.ac now adds the "-D VFC_CI" flag to CFLAGS when vfc_ci is enabled. Co-authored-by: Anthony Scemama --- .gitignore | 2 + Makefile.am | 12 +- configure.ac | 38 +- include/config.h.in | 7 - include/config.h.in~ | 160 +++ org/qmckl_ao.org | 234 ++-- org/qmckl_distance.org | 190 +++- org/qmckl_electron.org | 38 + share/doc/qmckl/html/htmlize.el | 1882 +++++++++++++++++++++++++++++++ 9 files changed, 2446 insertions(+), 117 deletions(-) create mode 100644 include/config.h.in~ create mode 100644 share/doc/qmckl/html/htmlize.el diff --git a/.gitignore b/.gitignore index 61f6fbb..8e8dceb 100644 --- a/.gitignore +++ b/.gitignore @@ -13,6 +13,8 @@ config.status config.sub configure generated.mk +.vfcwrapper.o +libtool m4/libtool.m4 m4/ltoptions.m4 m4/ltsugar.m4 diff --git a/Makefile.am b/Makefile.am index 57ad20b..cda95f9 100644 --- a/Makefile.am +++ b/Makefile.am @@ -31,6 +31,12 @@ # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + +if VFC_CI +AM_LDFLAGS=-lvfc_probes -lvfc_probes_f +endif + + ACLOCAL_AMFLAGS = -I m4 VERSION_MAJOR = @VERSION_MAJOR@ @@ -64,7 +70,7 @@ src_libqmckl_la_SOURCES = $(qmckl_h) $(src_qmckl_f) $(C_FILES) $(F_FILES) $(H_PR export qmckl_f qmckl_h srcdir -CLEANFILES+=$(test_qmckl_f) $(src_qmckl_f) $(test_qmckl_o) $(src_qmckl_o) +CLEANFILES+=$(test_qmckl_f) $(src_qmckl_f) $(test_qmckl_o) $(src_qmckl_o) htmlize_el=share/doc/qmckl/html/htmlize.el @@ -156,13 +162,13 @@ $(htmlize_el): $(srcdir)/tools/install_htmlize.sh $(htmlize_el) tests/chbrclf.h: $(qmckl_h) - + generated.mk: $(ORG_FILES) $(PYTHON) $(srcdir)/tools/build_makefile.py cppcheck: cppcheck.out - + cppcheck.out: $(qmckl_h) cd src/ && \ cppcheck --addon=cert -q --error-exitcode=0 \ diff --git a/configure.ac b/configure.ac index c313f56..fc31af1 100644 --- a/configure.ac +++ b/configure.ac @@ -4,24 +4,24 @@ # QMCkl - Quantum Monte Carlo kernel library # # BSD 3-Clause License -# +# # Copyright (c) 2020, TREX Center of Excellence # All rights reserved. -# +# # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: -# +# # 1. Redistributions of source code must retain the above copyright notice, this # list of conditions and the following disclaimer. -# +# # 2. Redistributions in binary form must reproduce the above copyright notice, # this list of conditions and the following disclaimer in the documentation # and/or other materials provided with the distribution. -# +# # 3. Neither the name of the copyright holder nor the names of its # contributors may be used to endorse or promote products derived from # this software without specific prior written permission. -# +# # THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" # AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE # IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE @@ -168,7 +168,7 @@ AC_TYPE_UINT64_T # Checks for library functions. ## qmckl -AC_FUNC_MALLOC +# AC_FUNC_MALLOC AC_CHECK_FUNCS([memset strerror]) # Development mode @@ -197,6 +197,29 @@ if test "x${QMCKL_DEVEL}" != "x"; then fi +# Enable Verificarlo tests +AC_ARG_ENABLE([vfc_ci], +[ --enable-vfc_ci Build the library with vfc_ci support], +[case "${enableval}" in + yes) vfc_ci=true && FCFLAGS="-D VFC_CI $FCFLAGS" && CFLAGS="-D VFC_CI $CFLAGS";; + no) vfc_ci=false ;; + *) AC_MSG_ERROR([bad value ${enableval} for --enable_vfc_ci]) ;; +esac],[vfc_ci=false]) +AM_CONDITIONAL([VFC_CI], [test x$vfc_ci = xtrue]) + +# Enable Fortran preprocessor +if test "$FC" = "gfortran"; then + AC_MSG_NOTICE(gfortran detected) + # Arguments order is important here + FCFLAGS="-cpp $FCFLAGS" +fi + +if test "$FC" = "verificarlo-f"; then + AC_MSG_NOTICE(verificarlo-f detected) + # Arguments order is important here + FCFLAGS="-Mpreprocess $FCFLAGS" +fi + #PKG-CONFIG #mkl-dynamic-lp64-seq @@ -238,4 +261,3 @@ where the optional is: check - run tests install - install ${PACKAGE_NAME} --------------------------------------------------" - diff --git a/include/config.h.in b/include/config.h.in index 6d33cba..01facda 100644 --- a/include/config.h.in +++ b/include/config.h.in @@ -30,10 +30,6 @@ /* Define to 1 if you have the `pthread' library (-lpthread). */ #undef HAVE_LIBPTHREAD -/* Define to 1 if your system has a GNU libc compatible `malloc' function, and - to 0 otherwise. */ -#undef HAVE_MALLOC - /* Define to 1 if you have the header file. */ #undef HAVE_MALLOC_H @@ -145,9 +141,6 @@ such a type exists and the standard includes do not define it. */ #undef int64_t -/* Define to rpl_malloc if the replacement function should be used. */ -#undef malloc - /* Define to `unsigned int' if does not define. */ #undef size_t diff --git a/include/config.h.in~ b/include/config.h.in~ new file mode 100644 index 0000000..6d33cba --- /dev/null +++ b/include/config.h.in~ @@ -0,0 +1,160 @@ +/* include/config.h.in. Generated from configure.ac by autoheader. */ + +/* Define to turn on debugging checks */ +#undef DEBUG + +/* Define when using the profiler tool */ +#undef ENABLE_PROF + +/* Define to 1 if your Fortran compiler doesn't accept -c and -o together. */ +#undef FC_NO_MINUS_C_MINUS_O + +/* Define to 1 if you have the header file. */ +#undef HAVE_ASSERT_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_DLFCN_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_ERRNO_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_INTTYPES_H + +/* Define to 1 if you have the `efence' library (-lefence). */ +#undef HAVE_LIBEFENCE + +/* Define to 1 if you have the `m' library (-lm). */ +#undef HAVE_LIBM + +/* Define to 1 if you have the `pthread' library (-lpthread). */ +#undef HAVE_LIBPTHREAD + +/* Define to 1 if your system has a GNU libc compatible `malloc' function, and + to 0 otherwise. */ +#undef HAVE_MALLOC + +/* Define to 1 if you have the header file. */ +#undef HAVE_MALLOC_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_MATH_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_MEMORY_H + +/* Define to 1 if you have the `memset' function. */ +#undef HAVE_MEMSET + +/* Define to 1 if you have the header file. */ +#undef HAVE_PTHREAD_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_STDBOOL_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_STDINT_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_STDIO_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_STDLIB_H + +/* Define to 1 if you have the `strerror' function. */ +#undef HAVE_STRERROR + +/* Define to 1 if you have the header file. */ +#undef HAVE_STRINGS_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_STRING_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_SYS_STAT_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_SYS_TYPES_H + +/* Define to 1 if you have the header file. */ +#undef HAVE_UNISTD_H + +/* Define to 1 if the system has the type `_Bool'. */ +#undef HAVE__BOOL + +/* Define to the sub-directory where libtool stores uninstalled libraries. */ +#undef LT_OBJDIR + +/* Define to use debugging malloc/free */ +#undef MALLOC_TRACE + +/* Define to 1 if your C compiler doesn't accept -c and -o together. */ +#undef NO_MINUS_C_MINUS_O + +/* Name of package */ +#undef PACKAGE + +/* Define to the address where bug reports for this package should be sent. */ +#undef PACKAGE_BUGREPORT + +/* Define to the full name of this package. */ +#undef PACKAGE_NAME + +/* Define to the full name and version of this package. */ +#undef PACKAGE_STRING + +/* Define to the one symbol short name of this package. */ +#undef PACKAGE_TARNAME + +/* Define to the home page for this package. */ +#undef PACKAGE_URL + +/* Define to the version of this package. */ +#undef PACKAGE_VERSION + +/* major version */ +#undef QMCKL_VERSION_MAJOR + +/* minor version */ +#undef QMCKL_VERSION_MINOR + +/* patch version */ +#undef QMCKL_VERSION_PATCH + +/* Define to 1 if you have the ANSI C header files. */ +#undef STDC_HEADERS + +/* Version number of package */ +#undef VERSION + +/* Define for Solaris 2.5.1 so the uint32_t typedef from , + , or is not used. If the typedef were allowed, the + #define below would cause a syntax error. */ +#undef _UINT32_T + +/* Define for Solaris 2.5.1 so the uint64_t typedef from , + , or is not used. If the typedef were allowed, the + #define below would cause a syntax error. */ +#undef _UINT64_T + +/* Define to the type of a signed integer type of width exactly 32 bits if + such a type exists and the standard includes do not define it. */ +#undef int32_t + +/* Define to the type of a signed integer type of width exactly 64 bits if + such a type exists and the standard includes do not define it. */ +#undef int64_t + +/* Define to rpl_malloc if the replacement function should be used. */ +#undef malloc + +/* Define to `unsigned int' if does not define. */ +#undef size_t + +/* Define to the type of an unsigned integer type of width exactly 32 bits if + such a type exists and the standard includes do not define it. */ +#undef uint32_t + +/* Define to the type of an unsigned integer type of width exactly 64 bits if + such a type exists and the standard includes do not define it. */ +#undef uint64_t diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org index b193f3a..891fc47 100644 --- a/org/qmckl_ao.org +++ b/org/qmckl_ao.org @@ -60,9 +60,17 @@ gradients and Laplacian of the atomic basis functions. #include #include "chbrclf.h" +#ifdef VFC_CI +#include +#endif + int main() { qmckl_context context; context = qmckl_context_create(); + + #ifdef VFC_CI + vfc_probes probes = vfc_init_probes(); + #endif #+end_src #+begin_src c :tangle (eval c) @@ -107,7 +115,7 @@ int main() { | ~prim_factor~ | ~[prim_num]~ | Normalization factors of the primtives | Computed data: - + |----------------------+-------------------------------------+-----------------------------------------------------------------------------------------------| | ~nucleus_prim_index~ | ~[nucl_num]~ | Index of the first primitive for each nucleus | | ~primitive_vgl~ | ~[prim_num][5][walk_num][elec_num]~ | Value, gradients, Laplacian of the primitives at electron positions | @@ -202,10 +210,10 @@ typedef struct qmckl_ao_basis_struct { Some values are initialized by default, and are not concerned by this mechanism. - #+begin_src c :comments org :tangle (eval h_private_func) + #+begin_src c :comments org :tangle (eval h_private_func) qmckl_exit_code qmckl_init_ao_basis(qmckl_context context); #+end_src - + #+begin_src c :comments org :tangle (eval c) qmckl_exit_code qmckl_init_ao_basis(qmckl_context context) { @@ -225,7 +233,7 @@ qmckl_exit_code qmckl_init_ao_basis(qmckl_context context) { return QMCKL_SUCCESS; } #+end_src - + ** Access functions #+begin_src c :comments org :tangle (eval h_private_func) :exports none @@ -1026,16 +1034,16 @@ qmckl_exit_code qmckl_finalize_basis(qmckl_context context) { ctx->ao_basis.nucleus_prim_index[i] = ctx->ao_basis.shell_prim_index[shell_idx]; } ctx->ao_basis.nucleus_prim_index[nucl_num] = ctx->ao_basis.prim_num; - + /* TODO : sort the basis set here */ return QMCKL_SUCCESS; } #+end_src - + ** Fortran interfaces - #+begin_src f90 :tangle (eval fh_func) :comments org :exports none + #+begin_src f90 :tangle (eval fh_func) :comments org :exports none interface integer(c_int32_t) function qmckl_set_ao_basis_type (context, t) & bind(C) @@ -1087,7 +1095,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_shell_ang_mom(context,shell_ang_mom) & + integer(c_int32_t) function qmckl_set_ao_basis_shell_ang_mom(context,shell_ang_mom) & bind(C) use, intrinsic :: iso_c_binding import @@ -1097,7 +1105,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_shell_prim_num(context,shell_prim_num) & + integer(c_int32_t) function qmckl_set_ao_basis_shell_prim_num(context,shell_prim_num) & bind(C) use, intrinsic :: iso_c_binding import @@ -1107,7 +1115,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_shell_prim_index(context,shell_prim_index) & + integer(c_int32_t) function qmckl_set_ao_basis_shell_prim_index(context,shell_prim_index) & bind(C) use, intrinsic :: iso_c_binding import @@ -1117,7 +1125,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_shell_factor(context,shell_factor) & + integer(c_int32_t) function qmckl_set_ao_basis_shell_factor(context,shell_factor) & bind(C) use, intrinsic :: iso_c_binding import @@ -1127,7 +1135,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_exponent(context,exponent) & + integer(c_int32_t) function qmckl_set_ao_basis_exponent(context,exponent) & bind(C) use, intrinsic :: iso_c_binding import @@ -1137,7 +1145,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_coefficient(context,coefficient) & + integer(c_int32_t) function qmckl_set_ao_basis_coefficient(context,coefficient) & bind(C) use, intrinsic :: iso_c_binding import @@ -1147,7 +1155,7 @@ interface end function end interface interface - integer(c_int32_t) function qmckl_set_ao_basis_nucleus_prim_factor(context,prim_factor) & + integer(c_int32_t) function qmckl_set_ao_basis_prim_factor(context,prim_factor) & bind(C) use, intrinsic :: iso_c_binding import @@ -1243,7 +1251,7 @@ assert(rc == QMCKL_SUCCESS); assert(qmckl_ao_basis_provided(context)); #+end_src - + * Radial part ** General functions for Gaussian basis functions @@ -1385,12 +1393,27 @@ end function qmckl_ao_gaussian_vgl # Test #+begin_src f90 :tangle (eval f_test) +#ifdef VFC_CI +integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context, probes) bind(C) +#else integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C) +#endif use qmckl + +#ifdef VFC_CI + use iso_c_binding + use vfc_probes_f +#endif + implicit none integer(c_int64_t), intent(in), value :: context +#ifdef VFC_CI + type(vfc_probes) :: probes + integer(C_INT) :: vfc_err +#endif + integer*8 :: n, ldv, j, i double precision :: X(3), R(3), Y(3), r2 double precision, allocatable :: VGL(:,:), A(:) @@ -1414,10 +1437,17 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C) test_qmckl_ao_gaussian_vgl = & qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv) + +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "ao"//C_NULL_CHAR, "gaussian_vgl"//C_NULL_CHAR, & + DBLE(test_qmckl_ao_gaussian_vgl)) +#else if (test_qmckl_ao_gaussian_vgl /= 0) return +#endif test_qmckl_ao_gaussian_vgl = -1 +#ifndef VFC_CI do i=1,n test_qmckl_ao_gaussian_vgl = -11 if (dabs(1.d0 - VGL(i,1) / (& @@ -1444,6 +1474,7 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C) A(i) * (4.d0*r2*A(i) - 6.d0) * dexp(-A(i) * r2) & )) > epsilon ) return end do +#endif test_qmckl_ao_gaussian_vgl = 0 @@ -1452,8 +1483,13 @@ end function test_qmckl_ao_gaussian_vgl #+end_src #+begin_src c :tangle (eval c_test) :exports none +#ifdef VFC_CI + int test_qmckl_ao_gaussian_vgl(qmckl_context context, vfc_probes * probes); + assert(0 == test_qmckl_ao_gaussian_vgl(context, &probes)); +#else int test_qmckl_ao_gaussian_vgl(qmckl_context context); assert(0 == test_qmckl_ao_gaussian_vgl(context)); +#endif #+end_src ** TODO General functions for Slater basis functions @@ -1468,7 +1504,7 @@ qmckl_exit_code qmckl_get_ao_basis_primitive_vgl(qmckl_context context, double* #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none qmckl_exit_code qmckl_get_ao_basis_primitive_vgl(qmckl_context context, double* const primitive_vgl) { - + if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) { return QMCKL_NULL_CONTEXT; } @@ -1511,7 +1547,7 @@ qmckl_exit_code qmckl_provide_ao_basis_primitive_vgl(qmckl_context context) "qmckl_ao_basis_primitive_vgl", NULL); } - + /* Compute if necessary */ if (ctx->electron.coord_new_date > ctx->ao_basis.primitive_vgl_date) { @@ -1532,7 +1568,7 @@ qmckl_exit_code qmckl_provide_ao_basis_primitive_vgl(qmckl_context context) ctx->ao_basis.primitive_vgl = primitive_vgl; } - qmckl_exit_code rc; + qmckl_exit_code rc; if (ctx->ao_basis.type == 'G') { rc = qmckl_compute_ao_basis_primitive_gaussian_vgl(context, ctx->ao_basis.prim_num, @@ -1549,7 +1585,7 @@ qmckl_exit_code qmckl_provide_ao_basis_primitive_vgl(qmckl_context context) QMCKL_FAILURE, "compute_ao_basis_primitive_vgl", "Not yet implemented"); - } + } if (rc != QMCKL_SUCCESS) { return rc; } @@ -1579,7 +1615,7 @@ qmckl_exit_code qmckl_provide_ao_basis_primitive_vgl(qmckl_context context) | double | nucl_coord[3][elec_num] | in | Nuclear coordinates | | double | expo[prim_num] | in | Exponents of the primitives | | double | primitive_vgl[prim_num][5][walk_num][elec_num] | out | Value, gradients and Laplacian of the primitives | - + #+begin_src f90 :comments org :tangle (eval f) :noweb yes integer function qmckl_compute_ao_basis_primitive_gaussian_vgl_f(context, & prim_num, elec_num, nucl_num, walk_num, & @@ -1611,19 +1647,19 @@ integer function qmckl_compute_ao_basis_primitive_gaussian_vgl_f(context, & do iprim = nucleus_prim_index(inucl)+1, nucleus_prim_index(inucl+1) do iwalk = 1, walk_num do ielec = 1, elec_num - x = elec_coord(ielec,1,iwalk) - nucl_coord(inucl,1) - y = elec_coord(ielec,2,iwalk) - nucl_coord(inucl,2) - z = elec_coord(ielec,3,iwalk) - nucl_coord(inucl,3) + x = elec_coord(ielec,1,iwalk) - nucl_coord(inucl,1) + y = elec_coord(ielec,2,iwalk) - nucl_coord(inucl,2) + z = elec_coord(ielec,3,iwalk) - nucl_coord(inucl,3) r2 = x*x + y*y + z*z ar2 = expo(iprim)*r2 if (ar2 > cutoff) cycle - + v = dexp(-ar2) two_a = -2.d0 * expo(iprim) * v primitive_vgl(ielec, iwalk, 1, iprim) = v - primitive_vgl(ielec, iwalk, 2, iprim) = two_a * x + primitive_vgl(ielec, iwalk, 2, iprim) = two_a * x primitive_vgl(ielec, iwalk, 3, iprim) = two_a * y primitive_vgl(ielec, iwalk, 4, iprim) = two_a * z primitive_vgl(ielec, iwalk, 5, iprim) = two_a * (3.d0 - 2.d0*ar2) @@ -1632,7 +1668,7 @@ integer function qmckl_compute_ao_basis_primitive_gaussian_vgl_f(context, & end do end do end do - + end function qmckl_compute_ao_basis_primitive_gaussian_vgl_f #+end_src @@ -1683,7 +1719,7 @@ qmckl_exit_code qmckl_compute_ao_basis_primitive_gaussian_vgl( import numpy as np def f(a,x,y): - return np.exp( -a*(np.linalg.norm(x-y))**2 ) + return np.exp( -a*(np.linalg.norm(x-y))**2 ) def df(a,x,y,n): h0 = 1.e-6 @@ -1750,7 +1786,7 @@ int64_t elec_up_num = chbrclf_elec_up_num; int64_t elec_dn_num = chbrclf_elec_dn_num; double* elec_coord = &(chbrclf_elec_coord[0][0][0]); -rc = qmckl_set_electron_num (context, elec_up_num, elec_dn_num); +rc = qmckl_set_electron_num (context, elec_up_num, elec_dn_num); assert (rc == QMCKL_SUCCESS); rc = qmckl_set_electron_walk_num (context, walk_num); @@ -1758,7 +1794,7 @@ assert (rc == QMCKL_SUCCESS); assert(qmckl_electron_provided(context)); -rc = qmckl_set_electron_coord (context, 'N', elec_coord); +rc = qmckl_set_electron_coord (context, 'N', elec_coord); assert(rc == QMCKL_SUCCESS); @@ -1773,13 +1809,13 @@ assert( fabs(prim_vgl[7][1][0][26] - (-7.5014974095310560E-004)) < 1.e-14 ); assert( fabs(prim_vgl[7][2][0][26] - (-3.8250692897610380E-003)) < 1.e-14 ); assert( fabs(prim_vgl[7][3][0][26] - ( 3.4950559194080275E-003)) < 1.e-14 ); assert( fabs(prim_vgl[7][4][0][26] - ( 2.0392163767356572E-002)) < 1.e-14 ); - + assert( fabs(prim_vgl[39][0][1][15] - ( 1.0825844173157661E-003)) < 1.e-14 ); assert( fabs(prim_vgl[39][1][1][15] - ( 2.3774237611651531E-003)) < 1.e-14 ); assert( fabs(prim_vgl[39][2][1][15] - ( 2.1423191526963063E-003)) < 1.e-14 ); assert( fabs(prim_vgl[39][3][1][15] - ( 4.3312003523048492E-004)) < 1.e-14 ); assert( fabs(prim_vgl[39][4][1][15] - ( 7.5174404780004771E-003)) < 1.e-14 ); - + } @@ -1796,11 +1832,11 @@ k=0; for (m=0 ; melectron.coord_new_date > ctx->ao_basis.shell_vgl_date) { @@ -1892,7 +1942,7 @@ qmckl_exit_code qmckl_provide_ao_basis_shell_vgl(qmckl_context context) ctx->ao_basis.shell_vgl = shell_vgl; } - qmckl_exit_code rc; + qmckl_exit_code rc; if (ctx->ao_basis.type == 'G') { rc = qmckl_compute_ao_basis_shell_gaussian_vgl(context, ctx->ao_basis.prim_num, @@ -1914,7 +1964,7 @@ qmckl_exit_code qmckl_provide_ao_basis_shell_vgl(qmckl_context context) QMCKL_FAILURE, "compute_ao_basis_shell_vgl", "Not yet implemented"); - } + } if (rc != QMCKL_SUCCESS) { return rc; } @@ -1949,7 +1999,7 @@ qmckl_exit_code qmckl_provide_ao_basis_shell_vgl(qmckl_context context) | ~double~ | ~expo[prim_num]~ | in | Exponents of the primitives | | ~double~ | ~coef[prim_num]~ | in | Coefficients of the primitives | | ~double~ | ~shell_vgl[shell_num][5][walk_num][elec_num]~ | out | Value, gradients and Laplacian of the shells | - + #+begin_src f90 :comments org :tangle (eval f) :noweb yes integer function qmckl_compute_ao_basis_shell_gaussian_vgl_f(context, & prim_num, shell_num, elec_num, nucl_num, walk_num, & @@ -1978,8 +2028,9 @@ integer function qmckl_compute_ao_basis_shell_gaussian_vgl_f(context, & double precision :: x, y, z, two_a, ar2, r2, v, cutoff info = QMCKL_SUCCESS - + ! Don't compute exponentials when the result will be almost zero. + ! TODO : Use numerical precision here cutoff = -dlog(1.d-15) do inucl=1,nucl_num @@ -1991,9 +2042,9 @@ integer function qmckl_compute_ao_basis_shell_gaussian_vgl_f(context, & shell_vgl(ielec, iwalk, 1:5, ishell) = 0.d0 - x = elec_coord(ielec,1,iwalk) - nucl_coord(inucl,1) - y = elec_coord(ielec,2,iwalk) - nucl_coord(inucl,2) - z = elec_coord(ielec,3,iwalk) - nucl_coord(inucl,3) + x = elec_coord(ielec,1,iwalk) - nucl_coord(inucl,1) + y = elec_coord(ielec,2,iwalk) - nucl_coord(inucl,2) + z = elec_coord(ielec,3,iwalk) - nucl_coord(inucl,3) r2 = x*x + y*y + z*z @@ -2006,30 +2057,30 @@ integer function qmckl_compute_ao_basis_shell_gaussian_vgl_f(context, & v = coef(iprim) * dexp(-ar2) two_a = -2.d0 * expo(iprim) * v - + shell_vgl(ielec, iwalk, 1, ishell) = & shell_vgl(ielec, iwalk, 1, ishell) + v - + shell_vgl(ielec, iwalk, 2, ishell) = & - shell_vgl(ielec, iwalk, 2, ishell) + two_a * x - + shell_vgl(ielec, iwalk, 2, ishell) + two_a * x + shell_vgl(ielec, iwalk, 3, ishell) = & - shell_vgl(ielec, iwalk, 3, ishell) + two_a * y - + shell_vgl(ielec, iwalk, 3, ishell) + two_a * y + shell_vgl(ielec, iwalk, 4, ishell) = & - shell_vgl(ielec, iwalk, 4, ishell) + two_a * z - + shell_vgl(ielec, iwalk, 4, ishell) + two_a * z + shell_vgl(ielec, iwalk, 5, ishell) = & shell_vgl(ielec, iwalk, 5, ishell) + two_a * (3.d0 - 2.d0*ar2) end do - + end do end do - + end do end do - + end function qmckl_compute_ao_basis_shell_gaussian_vgl_f #+end_src @@ -2119,7 +2170,7 @@ qmckl_exit_code qmckl_compute_ao_basis_shell_gaussian_vgl( import numpy as np def f(a,x,y): - return np.sum( [c * np.exp( -b*(np.linalg.norm(x-y))**2) for b,c in a] ) + return np.sum( [c * np.exp( -b*(np.linalg.norm(x-y))**2) for b,c in a] ) def df(a,x,y,n): h0 = 1.e-6 @@ -2203,7 +2254,7 @@ int64_t elec_up_num = chbrclf_elec_up_num; int64_t elec_dn_num = chbrclf_elec_dn_num; double* elec_coord = &(chbrclf_elec_coord[0][0][0]); -rc = qmckl_set_electron_num (context, elec_up_num, elec_dn_num); +rc = qmckl_set_electron_num (context, elec_up_num, elec_dn_num); assert (rc == QMCKL_SUCCESS); rc = qmckl_set_electron_walk_num (context, walk_num); @@ -2211,7 +2262,7 @@ assert (rc == QMCKL_SUCCESS); assert(qmckl_electron_provided(context)); -rc = qmckl_set_electron_coord (context, 'N', elec_coord); +rc = qmckl_set_electron_coord (context, 'N', elec_coord); assert(rc == QMCKL_SUCCESS); @@ -2225,7 +2276,7 @@ printf(" shell_vgl[1][1][0][26] %25.15e\n", shell_vgl[1][1][0][26]); printf(" shell_vgl[1][2][0][26] %25.15e\n", shell_vgl[1][2][0][26]); printf(" shell_vgl[1][3][0][26] %25.15e\n", shell_vgl[1][3][0][26]); printf(" shell_vgl[1][4][0][26] %25.15e\n", shell_vgl[1][4][0][26]); - + printf(" shell_vgl[14][0][1][15] %25.15e\n", shell_vgl[14][0][1][15]); printf(" shell_vgl[14][1][1][15] %25.15e\n", shell_vgl[14][1][1][15]); printf(" shell_vgl[14][2][1][15] %25.15e\n", shell_vgl[14][2][1][15]); @@ -2237,16 +2288,15 @@ assert( fabs(shell_vgl[1][1][0][26] - ( -2.615250164814435e-02)) < 1.e-14 ); assert( fabs(shell_vgl[1][2][0][26] - ( -1.333535498894419e-01)) < 1.e-14 ); assert( fabs(shell_vgl[1][3][0][26] - ( 1.218482800201208e-01)) < 1.e-14 ); assert( fabs(shell_vgl[1][4][0][26] - ( 3.197054084474042e-02)) < 1.e-14 ); - + assert( fabs(shell_vgl[14][0][1][15] - ( 4.509748459243634e-02)) < 1.e-14 ); assert( fabs(shell_vgl[14][1][1][15] - ( 3.203917730584210e-02)) < 1.e-14 ); assert( fabs(shell_vgl[14][2][1][15] - ( 2.887080725789477e-02)) < 1.e-14 ); assert( fabs(shell_vgl[14][3][1][15] - ( 5.836910453297223e-03)) < 1.e-14 ); assert( fabs(shell_vgl[14][4][1][15] - ( 1.572966698871693e-02)) < 1.e-14 ); -} +} #+end_src - * Polynomial part ** General functions for Powers of $x-X_i$ :PROPERTIES: @@ -2290,7 +2340,7 @@ assert( fabs(shell_vgl[14][4][1][15] - ( 1.572966698871693e-02)) < 1.e-14 ); const double* X, const int32_t* LMAX, double* const P, - const int64_t ldp ); + const int64_t ldp ); #+end_src *** Source @@ -2395,10 +2445,26 @@ end function qmckl_ao_power_f *** Test #+begin_src f90 :tangle (eval f_test) +#ifdef VFC_CI +integer(c_int32_t) function test_qmckl_ao_power(context, probes) bind(C) +#else integer(c_int32_t) function test_qmckl_ao_power(context) bind(C) +#endif + use qmckl + +#ifdef VFC_CI + use iso_c_binding + use vfc_probes_f +#endif + implicit none +#ifdef VFC_CI + type(vfc_probes) :: probes + integer(C_INT) :: vfc_err +#endif + integer(qmckl_context), intent(in), value :: context integer*8 :: n, LDP @@ -2420,7 +2486,13 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C) end do test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP) + +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "ao"//C_NULL_CHAR, "power"//C_NULL_CHAR, & + DBLE(test_qmckl_ao_power)) +#else if (test_qmckl_ao_power /= QMCKL_SUCCESS) return +#endif test_qmckl_ao_power = QMCKL_FAILURE @@ -2440,8 +2512,13 @@ end function test_qmckl_ao_power #+end_src #+begin_src c :tangle (eval c_test) :exports none +#ifdef VFC_CI + int test_qmckl_ao_power(qmckl_context context, vfc_probes * probes); + assert(0 == test_qmckl_ao_power(context, &probes)); +#else int test_qmckl_ao_power(qmckl_context context); assert(0 == test_qmckl_ao_power(context)); +#endif #+end_src ** General functions for Value, Gradient and Laplacian of a polynomial @@ -2724,12 +2801,27 @@ end function qmckl_ao_polynomial_vgl_f *** Test #+begin_src f90 :tangle (eval f_test) +#ifdef VFC_CI +integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context, probes) bind(C) +#else integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C) +#endif use qmckl + +#ifdef VFC_CI + use iso_c_binding + use vfc_probes_f +#endif + implicit none integer(c_int64_t), intent(in), value :: context +#ifdef VFC_CI + type(vfc_probes) :: probes + integer(C_INT) :: vfc_err +#endif + integer :: lmax, d, i integer, allocatable :: L(:,:) integer*8 :: n, ldl, ldv, j @@ -2755,9 +2847,15 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C) test_qmckl_ao_polynomial_vgl = & qmckl_ao_polynomial_vgl(context, X, R, lmax, n, L, ldl, VGL, ldv) +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "ao"//C_NULL_CHAR, "polynomial_vgl"//C_NULL_CHAR, & + DBLE(test_qmckl_ao_polynomial_vgl)) +#else if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return if (n /= d) return +#endif +#ifdef VFC_CI do j=1,n test_qmckl_ao_polynomial_vgl = QMCKL_FAILURE do i=1,3 @@ -2808,6 +2906,7 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C) end if if (dabs(1.d0 - VGL(5,j) / w) > epsilon ) return end do +#endif test_qmckl_ao_polynomial_vgl = QMCKL_SUCCESS @@ -2816,8 +2915,13 @@ end function test_qmckl_ao_polynomial_vgl #+end_src #+begin_src c :tangle (eval c_test) +#ifdef VFC_CI + int test_qmckl_ao_polynomial_vgl(qmckl_context context, vfc_probes * probes); + assert(0 == test_qmckl_ao_polynomial_vgl(context, &probes)); +#else int test_qmckl_ao_polynomial_vgl(qmckl_context context); assert(0 == test_qmckl_ao_polynomial_vgl(context)); +#endif #+end_src * Combining radial and polynomial parts @@ -2832,6 +2936,10 @@ end function test_qmckl_ao_polynomial_vgl rc = qmckl_context_destroy(context); assert (rc == QMCKL_SUCCESS); +#ifdef VFC_CI + vfc_dump_probes(&probes); +#endif + return 0; } #+end_src @@ -2865,5 +2973,3 @@ end function test_qmckl_ao_polynomial_vgl # -*- mode: org -*- # vim: syntax=c - - diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org index 082209b..804ee69 100644 --- a/org/qmckl_distance.org +++ b/org/qmckl_distance.org @@ -12,13 +12,21 @@ Functions for the computation of distances between particles. #+begin_src c :comments link :tangle (eval c_test) :noweb yes #include "qmckl.h" #include "assert.h" +#include #ifdef HAVE_CONFIG_H #include "config.h" #endif +#ifdef VFC_CI +#include +#endif int main() { qmckl_context context; context = qmckl_context_create(); +#ifdef VFC_CI + vfc_probes probes = vfc_init_probes(); +#endif + #+end_src * Squared distance @@ -282,11 +290,28 @@ end function qmckl_distance_sq_f *** Test :noexport: #+begin_src f90 :tangle (eval f_test) +#ifdef VFC_CI +integer(qmckl_exit_code) function test_qmckl_distance_sq(context, probes) bind(C) +#else integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C) +#endif + use qmckl + +#ifdef VFC_CI + use iso_c_binding + use vfc_probes_f +#endif + implicit none + integer(qmckl_context), intent(in), value :: context +#ifdef VFC_CI + type(vfc_probes) :: probes + integer(C_INT) :: vfc_err +#endif + double precision, allocatable :: A(:,:), B(:,:), C(:,:) integer*8 :: m, n, LDA, LDB, LDC double precision :: x @@ -298,6 +323,8 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C) LDB = n LDC = 5 + print *, "Entering test 1" + allocate( A(LDA,m), B(LDB,n), C(LDC,n) ) do j=1,m @@ -314,17 +341,32 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C) test_qmckl_distance_sq = & qmckl_distance_sq(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC) +#ifdef VFC_CI + print *, "About to create probe" + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_sq_Xt"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq)) + print *, "Created probe" +#else if (test_qmckl_distance_sq == 0) return +#endif test_qmckl_distance_sq = & qmckl_distance_sq(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC) - +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_sq_tX"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq)) +#else if (test_qmckl_distance_sq == 0) return +#endif test_qmckl_distance_sq = & qmckl_distance_sq(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_distance_sq /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_sq_Tt"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq)) +#else + if (test_qmckl_distance_sq == 0) return +#endif test_qmckl_distance_sq = QMCKL_FAILURE @@ -333,14 +375,20 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C) x = (A(i,1)-B(j,1))**2 + & (A(i,2)-B(j,2))**2 + & (A(i,3)-B(j,3))**2 - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do test_qmckl_distance_sq = & qmckl_distance_sq(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_distance_sq /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_sq_nT"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq)) +#else + if (test_qmckl_distance_sq == 0) return +#endif test_qmckl_distance_sq = QMCKL_FAILURE @@ -349,14 +397,20 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C) x = (A(1,i)-B(j,1))**2 + & (A(2,i)-B(j,2))**2 + & (A(3,i)-B(j,3))**2 - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do test_qmckl_distance_sq = & qmckl_distance_sq(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_distance_sq /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_sq_Tn"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq)) +#else + if (test_qmckl_distance_sq == 0) return +#endif test_qmckl_distance_sq = QMCKL_FAILURE @@ -365,14 +419,20 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C) x = (A(i,1)-B(1,j))**2 + & (A(i,2)-B(2,j))**2 + & (A(i,3)-B(3,j))**2 - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do test_qmckl_distance_sq = & qmckl_distance_sq(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_distance_sq /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_sq_nN"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq)) +#else + if (test_qmckl_distance_sq == 0) return +#endif test_qmckl_distance_sq = QMCKL_FAILURE @@ -392,8 +452,13 @@ end function test_qmckl_distance_sq #+end_src #+begin_src c :comments link :tangle (eval c_test) -qmckl_exit_code test_qmckl_distance_sq(qmckl_context context); -assert(test_qmckl_distance_sq(context) == QMCKL_SUCCESS); +#ifdef VFC_CI + qmckl_exit_code test_qmckl_distance_sq(qmckl_context context, vfc_probes * probes); + assert(test_qmckl_distance_sq(context, &probes) == QMCKL_SUCCESS); +#else + qmckl_exit_code test_qmckl_distance_sq(qmckl_context context); + assert(test_qmckl_distance_sq(context) == QMCKL_SUCCESS); +#endif #+end_src * Distance @@ -690,10 +755,23 @@ end function qmckl_distance_f *** Test :noexport: #+begin_src f90 :tangle (eval f_test) +#ifdef VFC_CI +integer(qmckl_exit_code) function test_qmckl_dist(context, probes) bind(C) +#else integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C) +#endif use qmckl +#ifdef VFC_CI + use iso_c_binding + use vfc_probes_f +#endif implicit none + integer(qmckl_context), intent(in), value :: context +#ifdef VFC_CI + type(vfc_probes) :: probes + integer(C_INT) :: vfc_err +#endif double precision, allocatable :: A(:,:), B(:,:), C(:,:) integer*8 :: m, n, LDA, LDB, LDC @@ -721,18 +799,30 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C) test_qmckl_dist = & qmckl_distance(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC) - +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_Xt"//C_NULL_CHAR, DBLE(test_qmckl_dist)) +#else if (test_qmckl_dist == 0) return +#endif test_qmckl_dist = & qmckl_distance(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC) - +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_tX"//C_NULL_CHAR, DBLE(test_qmckl_dist)) +#else if (test_qmckl_dist == 0) return +#endif test_qmckl_dist = & qmckl_distance(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_dist /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_Tt"//C_NULL_CHAR, DBLE(test_qmckl_dist)) +#else + if (test_qmckl_dist == 0) return +#endif test_qmckl_dist = QMCKL_FAILURE @@ -741,14 +831,20 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C) x = dsqrt((A(i,1)-B(j,1))**2 + & (A(i,2)-B(j,2))**2 + & (A(i,3)-B(j,3))**2) - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do test_qmckl_dist = & qmckl_distance(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_dist /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_nT"//C_NULL_CHAR, DBLE(test_qmckl_dist)) +#else + if (test_qmckl_dist == 0) return +#endif test_qmckl_dist = QMCKL_FAILURE @@ -757,14 +853,20 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C) x = dsqrt((A(1,i)-B(j,1))**2 + & (A(2,i)-B(j,2))**2 + & (A(3,i)-B(j,3))**2) - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do test_qmckl_dist = & qmckl_distance(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_dist /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_Tn"//C_NULL_CHAR, DBLE(test_qmckl_dist)) +#else + if (test_qmckl_dist == 0) return +#endif test_qmckl_dist = QMCKL_FAILURE @@ -773,14 +875,20 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C) x = dsqrt((A(i,1)-B(1,j))**2 + & (A(i,2)-B(2,j))**2 + & (A(i,3)-B(3,j))**2) - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do test_qmckl_dist = & qmckl_distance(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC) - - if (test_qmckl_dist /= 0) return +#ifdef VFC_CI + vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, & + "distance_nN"//C_NULL_CHAR, DBLE(test_qmckl_dist)) +#else + if (test_qmckl_dist == 0) return +#endif test_qmckl_dist = QMCKL_FAILURE @@ -789,7 +897,9 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C) x = dsqrt((A(1,i)-B(1,j))**2 + & (A(2,i)-B(2,j))**2 + & (A(3,i)-B(3,j))**2) - if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return +#ifndef VFC_CI + if ( dabs(1.d0 - C(i,j)/x) > 1.d-14) return +#endif end do end do @@ -800,8 +910,13 @@ end function test_qmckl_dist #+end_src #+begin_src c :comments link :tangle (eval c_test) -qmckl_exit_code test_qmckl_dist(qmckl_context context); -assert(test_qmckl_dist(context) == QMCKL_SUCCESS); +#ifdef VFC_CI + qmckl_exit_code test_qmckl_dist(qmckl_context context, vfc_probes * probes); + assert(test_qmckl_dist(context, &probes) == QMCKL_SUCCESS); +#else + qmckl_exit_code test_qmckl_dist(qmckl_context context); + assert(test_qmckl_dist(context) == QMCKL_SUCCESS); +#endif #+end_src * Rescaled Distance @@ -1114,12 +1229,12 @@ end function qmckl_distance_rescaled_f :FRetType: qmckl_exit_code :END: - ~qmckl_distance_rescaled_deriv_e~ computes the matrix of the gradient and laplacian of the + ~qmckl_distance_rescaled_deriv_e~ computes the matrix of the gradient and laplacian of the rescaled distance with respect to the electron coordinates. The derivative is a rank 3 tensor. The first dimension has a dimension of 4 of which the first three coordinates contains the gradient vector and the last index is the laplacian. - - + + \[ C_{ij} = \left( 1 - \exp{-\kappa C_{ij}}\right)/\kappa \] @@ -1130,12 +1245,12 @@ end function qmckl_distance_rescaled_f \nabla (C_{ij}(\mathbf{r}_{ee})) = \left(\frac{\delta C_{ij}(\mathbf{r}_{ee})}{\delta x},\frac{\delta C_{ij}(\mathbf{r}_{ee})}{\delta y},\frac{\delta C_{ij}(\mathbf{r}_{ee})}{\delta z} \right) \] and the laplacian is defined as follows: - + \[ \triangle (C_{ij}(r_{ee})) = \frac{\delta^2}{\delta x^2} + \frac{\delta^2}{\delta y^2} + \frac{\delta^2}{\delta z^2} \] - Using the above three formulae, the expression for the gradient and laplacian is + Using the above three formulae, the expression for the gradient and laplacian is as follows: \[ @@ -1463,6 +1578,11 @@ end function qmckl_distance_rescaled_deriv_e_f #+begin_src c :comments link :tangle (eval c_test) assert (qmckl_context_destroy(context) == QMCKL_SUCCESS); + +#ifdef VFC_CI + vfc_dump_probes(&probes); +#endif + return 0; } diff --git a/org/qmckl_electron.org b/org/qmckl_electron.org index 742ba56..b4b6624 100644 --- a/org/qmckl_electron.org +++ b/org/qmckl_electron.org @@ -608,6 +608,30 @@ qmckl_set_electron_rescale_factor_en(qmckl_context context, return QMCKL_SUCCESS; } + #+end_src + + #+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes +interface + integer(c_int32_t) function qmckl_set_electron_num(context, alpha, beta) bind(C) + use, intrinsic :: iso_c_binding + import + implicit none + + integer (c_int64_t) , intent(in) , value :: context + integer (c_int64_t) , intent(in) , value :: alpha + integer (c_int64_t) , intent(in) , value :: beta + end function +end interface +interface + integer(c_int32_t) function qmckl_set_electron_walk_num(context, walk_num) bind(C) + use, intrinsic :: iso_c_binding + import + implicit none + + integer (c_int64_t) , intent(in) , value :: context + integer (c_int64_t) , intent(in) , value :: walk_num + end function +end interface #+end_src The following function sets the electron coordinates of all the @@ -697,6 +721,20 @@ qmckl_set_electron_coord(qmckl_context context, const char transp, const double* } #+end_src + #+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes +interface + integer(c_int32_t) function qmckl_set_electron_coord(context, transp, coord) bind(C) + use, intrinsic :: iso_c_binding + import + implicit none + + integer (c_int64_t) , intent(in) , value :: context + character , intent(in) , value :: transp + double precision , intent(in) :: coord(*) + end function +end interface + #+end_src + ** Test #+begin_src python :results output :exports none diff --git a/share/doc/qmckl/html/htmlize.el b/share/doc/qmckl/html/htmlize.el new file mode 100644 index 0000000..f5c6d8a --- /dev/null +++ b/share/doc/qmckl/html/htmlize.el @@ -0,0 +1,1882 @@ +;;; htmlize.el --- Convert buffer text and decorations to HTML. -*- lexical-binding: t -*- + +;; Copyright (C) 1997-2003,2005,2006,2009,2011,2012,2014,2017,2018 Hrvoje Niksic + +;; Author: Hrvoje Niksic +;; Homepage: https://github.com/hniksic/emacs-htmlize +;; Keywords: hypermedia, extensions +;; Version: 1.56 + +;; This program is free software; you can redistribute it and/or modify +;; it under the terms of the GNU General Public License as published by +;; the Free Software Foundation; either version 2, or (at your option) +;; any later version. + +;; This program is distributed in the hope that it will be useful, +;; but WITHOUT ANY WARRANTY; without even the implied warranty of +;; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +;; GNU General Public License for more details. + +;; You should have received a copy of the GNU General Public License +;; along with this program; see the file COPYING. If not, write to the +;; Free Software Foundation, Inc., 59 Temple Place - Suite 330, +;; Boston, MA 02111-1307, USA. + +;;; Commentary: + +;; This package converts the buffer text and the associated +;; decorations to HTML. Mail to to discuss +;; features and additions. All suggestions are more than welcome. + +;; To use it, just switch to the buffer you want HTML-ized and type +;; `M-x htmlize-buffer'. You will be switched to a new buffer that +;; contains the resulting HTML code. You can edit and inspect this +;; buffer, or you can just save it with C-x C-w. `M-x htmlize-file' +;; will find a file, fontify it, and save the HTML version in +;; FILE.html, without any additional intervention. `M-x +;; htmlize-many-files' allows you to htmlize any number of files in +;; the same manner. `M-x htmlize-many-files-dired' does the same for +;; files marked in a dired buffer. + +;; htmlize supports three types of HTML output, selected by setting +;; `htmlize-output-type': `css', `inline-css', and `font'. In `css' +;; mode, htmlize uses cascading style sheets to specify colors; it +;; generates classes that correspond to Emacs faces and uses ... to color parts of text. In this mode, the +;; produced HTML is valid under the 4.01 strict DTD, as confirmed by +;; the W3C validator. `inline-css' is like `css', except the CSS is +;; put directly in the STYLE attribute of the SPAN element, making it +;; possible to paste the generated HTML into existing HTML documents. +;; In `font' mode, htmlize uses ... to +;; colorize HTML, which is not standard-compliant, but works better in +;; older browsers. `css' mode is the default. + +;; You can also use htmlize from your Emacs Lisp code. When called +;; non-interactively, `htmlize-buffer' and `htmlize-region' will +;; return the resulting HTML buffer, but will not change current +;; buffer or move the point. htmlize will do its best to work on +;; non-windowing Emacs sessions but the result will be limited to +;; colors supported by the terminal. + +;; htmlize aims for compatibility with older Emacs versions. Please +;; let me know if it doesn't work on the version of GNU Emacs that you +;; are using. The package relies on the presence of CL extensions; +;; please don't try to remove that dependency. I see no practical +;; problems with using the full power of the CL extensions, except +;; that one might learn to like them too much. + +;; The latest version is available at: +;; +;; +;; +;; + +;; Thanks go to the many people who have sent reports and contributed +;; comments, suggestions, and fixes. They include Ron Gut, Bob +;; Weiner, Toni Drabik, Peter Breton, Ville Skytta, Thomas Vogels, +;; Juri Linkov, Maciek Pasternacki, and many others. + +;; User quotes: "You sir, are a sick, sick, _sick_ person. :)" +;; -- Bill Perry, author of Emacs/W3 + + +;;; Code: + +(require 'cl-lib) +(eval-when-compile + (defvar font-lock-auto-fontify) + (defvar font-lock-support-mode) + (defvar global-font-lock-mode)) + +(defconst htmlize-version "1.56") + +(defgroup htmlize nil + "Convert buffer text and faces to HTML." + :group 'hypermedia) + +(defcustom htmlize-head-tags "" + "Additional tags to insert within HEAD of the generated document." + :type 'string + :group 'htmlize) + +(defcustom htmlize-output-type 'css + "Output type of generated HTML, one of `css', `inline-css', or `font'. +When set to `css' (the default), htmlize will generate a style sheet +with description of faces, and use it in the HTML document, specifying +the faces in the actual text with . + +When set to `inline-css', the style will be generated as above, but +placed directly in the STYLE attribute of the span ELEMENT: . This makes it easier to paste the resulting HTML to +other documents. + +When set to `font', the properties will be set using layout tags +, , , , and . + +`css' output is normally preferred, but `font' is still useful for +supporting old, pre-CSS browsers, and both `inline-css' and `font' for +easier embedding of colorized text in foreign HTML documents (no style +sheet to carry around)." + :type '(choice (const css) (const inline-css) (const font)) + :group 'htmlize) + +(defcustom htmlize-use-images t + "Whether htmlize generates `img' for images attached to buffer contents." + :type 'boolean + :group 'htmlize) + +(defcustom htmlize-force-inline-images nil + "Non-nil means generate all images inline using data URLs. +Normally htmlize converts image descriptors with :file properties to +relative URIs, and those with :data properties to data URIs. With this +flag set, the images specified as a file name are loaded into memory and +embedded in the HTML as data URIs." + :type 'boolean + :group 'htmlize) + +(defcustom htmlize-max-alt-text 100 + "Maximum size of text to use as ALT text in images. + +Normally when htmlize encounters text covered by the `display' property +that specifies an image, it generates an `alt' attribute containing the +original text. If the text is larger than `htmlize-max-alt-text' characters, +this will not be done." + :type 'integer + :group 'htmlize) + +(defcustom htmlize-transform-image 'htmlize-default-transform-image + "Function called to modify the image descriptor. + +The function is called with the image descriptor found in the buffer and +the text the image is supposed to replace. It should return a (possibly +different) image descriptor property list or a replacement string to use +instead of of the original buffer text. + +Returning nil is the same as returning the original text." + :type 'boolean + :group 'htmlize) + +(defcustom htmlize-generate-hyperlinks t + "Non-nil means auto-generate the links from URLs and mail addresses in buffer. + +This is on by default; set it to nil if you don't want htmlize to +autogenerate such links. Note that this option only turns off automatic +search for contents that looks like URLs and converting them to links. +It has no effect on whether htmlize respects the `htmlize-link' property." + :type 'boolean + :group 'htmlize) + +(defcustom htmlize-hyperlink-style " + a { + color: inherit; + background-color: inherit; + font: inherit; + text-decoration: inherit; + } + a:hover { + text-decoration: underline; + } +" + "The CSS style used for hyperlinks when in CSS mode." + :type 'string + :group 'htmlize) + +(defcustom htmlize-replace-form-feeds t + "Non-nil means replace form feeds in source code with HTML separators. +Form feeds are the ^L characters at line beginnings that are sometimes +used to separate sections of source code. If this variable is set to +`t', form feed characters are replaced with the
separator. If this +is a string, it specifies the replacement to use. Note that 
 is
+temporarily closed before the separator is inserted, so the default
+replacement is effectively \"
\".  If you specify
+another replacement, don't forget to close and reopen the 
 if you
+want the output to remain valid HTML.
+
+If you need more elaborate processing, set this to nil and use
+htmlize-after-hook."
+  :type 'boolean
+  :group 'htmlize)
+
+(defcustom htmlize-html-charset nil
+  "The charset declared by the resulting HTML documents.
+When non-nil, causes htmlize to insert the following in the HEAD section
+of the generated HTML:
+
+  
+
+where CHARSET is the value you've set for htmlize-html-charset.  Valid
+charsets are defined by MIME and include strings like \"iso-8859-1\",
+\"iso-8859-15\", \"utf-8\", etc.
+
+If you are using non-Latin-1 charsets, you might need to set this for
+your documents to render correctly.  Also, the W3C validator requires
+submitted HTML documents to declare a charset.  So if you care about
+validation, you can use this to prevent the validator from bitching.
+
+Needless to say, if you set this, you should actually make sure that
+the buffer is in the encoding you're claiming it is in.  (This is
+normally achieved by using the correct file coding system for the
+buffer.)  If you don't understand what that means, you should probably
+leave this option in its default setting."
+  :type '(choice (const :tag "Unset" nil)
+		 string)
+  :group 'htmlize)
+
+(defcustom htmlize-convert-nonascii-to-entities t
+  "Whether non-ASCII characters should be converted to HTML entities.
+
+When this is non-nil, characters with codes in the 128-255 range will be
+considered Latin 1 and rewritten as \"&#CODE;\".  Characters with codes
+above 255 will be converted to \"&#UCS;\", where UCS denotes the Unicode
+code point of the character.  If the code point cannot be determined,
+the character will be copied unchanged, as would be the case if the
+option were nil.
+
+When the option is nil, the non-ASCII characters are copied to HTML
+without modification.  In that case, the web server and/or the browser
+must be set to understand the encoding that was used when saving the
+buffer.  (You might also want to specify it by setting
+`htmlize-html-charset'.)
+
+Note that in an HTML entity \"&#CODE;\", CODE is always a UCS code point,
+which has nothing to do with the charset the page is in.  For example,
+\"©\" *always* refers to the copyright symbol, regardless of charset
+specified by the META tag or the charset sent by the HTTP server.  In
+other words, \"©\" is exactly equivalent to \"©\".
+
+For most people htmlize will work fine with this option left at the
+default setting; don't change it unless you know what you're doing."
+  :type 'sexp
+  :group 'htmlize)
+
+(defcustom htmlize-ignore-face-size 'absolute
+  "Whether face size should be ignored when generating HTML.
+If this is nil, face sizes are used.  If set to t, sizes are ignored
+If set to `absolute', only absolute size specifications are ignored.
+Please note that font sizes only work with CSS-based output types."
+  :type '(choice (const :tag "Don't ignore" nil)
+		 (const :tag "Ignore all" t)
+		 (const :tag "Ignore absolute" absolute))
+  :group 'htmlize)
+
+(defcustom htmlize-css-name-prefix ""
+  "The prefix used for CSS names.
+The CSS names that htmlize generates from face names are often too
+generic for CSS files; for example, `font-lock-type-face' is transformed
+to `type'.  Use this variable to add a prefix to the generated names.
+The string \"htmlize-\" is an example of a reasonable prefix."
+  :type 'string
+  :group 'htmlize)
+
+(defcustom htmlize-use-rgb-txt t
+  "Whether `rgb.txt' should be used to convert color names to RGB.
+
+This conversion means determining, for instance, that the color
+\"IndianRed\" corresponds to the (205, 92, 92) RGB triple.  `rgb.txt'
+is the X color database that maps hundreds of color names to such RGB
+triples.  When this variable is non-nil, `htmlize' uses `rgb.txt' to
+look up color names.
+
+If this variable is nil, htmlize queries Emacs for RGB components of
+colors using `color-instance-rgb-components' and `color-values'.
+This can yield incorrect results on non-true-color displays.
+
+If the `rgb.txt' file is not found (which will be the case if you're
+running Emacs on non-X11 systems), this option is ignored."
+  :type 'boolean
+  :group 'htmlize)
+
+(defvar htmlize-face-overrides nil
+  "Overrides for face definitions.
+
+Normally face definitions are taken from Emacs settings for fonts
+in the current frame.  For faces present in this plist, the
+definitions will be used instead.  Keys in the plist are symbols
+naming the face and values are the overriding definitions.  For
+example:
+
+  (setq htmlize-face-overrides
+        '(font-lock-warning-face \"black\"
+          font-lock-function-name-face \"red\"
+          font-lock-comment-face \"blue\"
+          default (:foreground \"dark-green\" :background \"yellow\")))
+
+This variable can be also be `let' bound when running `htmlize-buffer'.")
+
+(defcustom htmlize-untabify t
+  "Non-nil means untabify buffer contents during htmlization."
+  :type 'boolean
+  :group 'htmlize)
+
+(defcustom htmlize-html-major-mode nil
+  "The mode the newly created HTML buffer will be put in.
+Set this to nil if you prefer the default (fundamental) mode."
+  :type '(radio (const :tag "No mode (fundamental)" nil)
+		 (function-item html-mode)
+		 (function :tag "User-defined major mode"))
+  :group 'htmlize)
+
+(defcustom htmlize-pre-style nil
+  "When non-nil, `
' tags will be decorated with style
+information in `font' and `inline-css' modes. This allows a
+consistent background for captures of regions."
+  :type 'boolean
+  :group 'htmlize)
+
+(defvar htmlize-before-hook nil
+  "Hook run before htmlizing a buffer.
+The hook functions are run in the source buffer (not the resulting HTML
+buffer).")
+
+(defvar htmlize-after-hook nil
+  "Hook run after htmlizing a buffer.
+Unlike `htmlize-before-hook', these functions are run in the generated
+HTML buffer.  You may use them to modify the outlook of the final HTML
+output.")
+
+(defvar htmlize-file-hook nil
+  "Hook run by `htmlize-file' after htmlizing a file, but before saving it.")
+
+(defvar htmlize-buffer-places)
+
+;;; Some cross-Emacs compatibility.
+
+;; We need a function that efficiently finds the next change of a
+;; property regardless of whether the change occurred because of a
+;; text property or an extent/overlay.
+(defun htmlize-next-change (pos prop &optional limit)
+  (if prop
+      (next-single-char-property-change pos prop nil limit)
+    (next-char-property-change pos limit)))
+
+(defun htmlize-overlay-faces-at (pos)
+  (delq nil (mapcar (lambda (o) (overlay-get o 'face)) (overlays-at pos))))
+
+(defun htmlize-next-face-change (pos &optional limit)
+  ;; (htmlize-next-change pos 'face limit) would skip over entire
+  ;; overlays that specify the `face' property, even when they
+  ;; contain smaller text properties that also specify `face'.
+  ;; Emacs display engine merges those faces, and so must we.
+  (or limit
+      (setq limit (point-max)))
+  (let ((next-prop (next-single-property-change pos 'face nil limit))
+        (overlay-faces (htmlize-overlay-faces-at pos)))
+    (while (progn
+             (setq pos (next-overlay-change pos))
+             (and (< pos next-prop)
+                  (equal overlay-faces (htmlize-overlay-faces-at pos)))))
+    (setq pos (min pos next-prop))
+    ;; Additionally, we include the entire region that specifies the
+    ;; `display' property.
+    (when (get-char-property pos 'display)
+      (setq pos (next-single-char-property-change pos 'display nil limit)))
+    pos))
+
+(defmacro htmlize-lexlet (&rest letforms)
+  (declare (indent 1) (debug let))
+  (if (and (boundp 'lexical-binding)
+           lexical-binding)
+      `(let ,@letforms)
+    ;; cl extensions have a macro implementing lexical let
+    `(lexical-let ,@letforms)))
+
+
+;;; Transformation of buffer text: HTML escapes, untabification, etc.
+
+(defvar htmlize-basic-character-table
+  ;; Map characters in the 0-127 range to either one-character strings
+  ;; or to numeric entities.
+  (let ((table (make-vector 128 ?\0)))
+    ;; Map characters in the 32-126 range to themselves, others to
+    ;; &#CODE entities;
+    (dotimes (i 128)
+      (setf (aref table i) (if (and (>= i 32) (<= i 126))
+			       (char-to-string i)
+			     (format "&#%d;" i))))
+    ;; Set exceptions manually.
+    (setf
+     ;; Don't escape newline, carriage return, and TAB.
+     (aref table ?\n) "\n"
+     (aref table ?\r) "\r"
+     (aref table ?\t) "\t"
+     ;; Escape &, <, and >.
+     (aref table ?&) "&"
+     (aref table ?<) "<"
+     (aref table ?>) ">"
+     ;; Not escaping '"' buys us a measurable speedup.  It's only
+     ;; necessary to quote it for strings used in attribute values,
+     ;; which htmlize doesn't typically do.
+     ;(aref table ?\") """
+     )
+    table))
+
+;; A cache of HTML representation of non-ASCII characters.  Depending
+;; on the setting of `htmlize-convert-nonascii-to-entities', this maps
+;; non-ASCII characters to either "&#;" or "" (mapconcat's
+;; mapper must always return strings).  It's only filled as characters
+;; are encountered, so that in a buffer with e.g. French text, it will
+;; only ever contain French accented characters as keys.  It's cleared
+;; on each entry to htmlize-buffer-1 to allow modifications of
+;; `htmlize-convert-nonascii-to-entities' to take effect.
+(defvar htmlize-extended-character-cache (make-hash-table :test 'eq))
+
+(defun htmlize-protect-string (string)
+  "HTML-protect string, escaping HTML metacharacters and I18N chars."
+  ;; Only protecting strings that actually contain unsafe or non-ASCII
+  ;; chars removes a lot of unnecessary funcalls and consing.
+  (if (not (string-match "[^\r\n\t -%'-;=?-~]" string))
+      string
+    (mapconcat (lambda (char)
+		 (cond
+		  ((< char 128)
+		   ;; ASCII: use htmlize-basic-character-table.
+		   (aref htmlize-basic-character-table char))
+		  ((gethash char htmlize-extended-character-cache)
+		   ;; We've already seen this char; return the cached
+		   ;; string.
+		   )
+		  ((not htmlize-convert-nonascii-to-entities)
+		   ;; If conversion to entities is not desired, always
+		   ;; copy the char literally.
+		   (setf (gethash char htmlize-extended-character-cache)
+			 (char-to-string char)))
+		  ((< char 256)
+		   ;; Latin 1: no need to call encode-char.
+		   (setf (gethash char htmlize-extended-character-cache)
+			 (format "&#%d;" char)))
+		  ((encode-char char 'ucs)
+                   ;; Must check if encode-char works for CHAR;
+                   ;; it fails for Arabic and possibly elsewhere.
+		   (setf (gethash char htmlize-extended-character-cache)
+			 (format "&#%d;" (encode-char char 'ucs))))
+		  (t
+		   ;; encode-char doesn't work for this char.  Copy it
+		   ;; unchanged and hope for the best.
+		   (setf (gethash char htmlize-extended-character-cache)
+			 (char-to-string char)))))
+	       string "")))
+
+(defun htmlize-attr-escape (string)
+  ;; Like htmlize-protect-string, but also escapes double-quoted
+  ;; strings to make it usable in attribute values.
+  (setq string (htmlize-protect-string string))
+  (if (not (string-match "\"" string))
+      string
+    (mapconcat (lambda (char)
+                 (if (eql char ?\")
+                     """
+                   (char-to-string char)))
+               string "")))
+
+(defsubst htmlize-concat (list)
+  (if (and (consp list) (null (cdr list)))
+      ;; Don't create a new string in the common case where the list only
+      ;; consists of one element.
+      (car list)
+    (apply #'concat list)))
+
+(defun htmlize-format-link (linkprops text)
+  (let ((uri (if (stringp linkprops)
+                 linkprops
+               (plist-get linkprops :uri)))
+        (escaped-text (htmlize-protect-string text)))
+    (if uri
+        (format "%s" (htmlize-attr-escape uri) escaped-text)
+      escaped-text)))
+
+(defun htmlize-escape-or-link (string)
+  ;; Escape STRING and/or add hyperlinks.  STRING comes from a
+  ;; `display' property.
+  (let ((pos 0) (end (length string)) outlist)
+    (while (< pos end)
+      (let* ((link (get-char-property pos 'htmlize-link string))
+             (next-link-change (next-single-property-change
+                                pos 'htmlize-link string end))
+             (chunk (substring string pos next-link-change)))
+        (push
+         (cond (link
+                (htmlize-format-link link chunk))
+               ((get-char-property 0 'htmlize-literal chunk)
+                chunk)
+               (t
+                (htmlize-protect-string chunk)))
+         outlist)
+        (setq pos next-link-change)))
+    (htmlize-concat (nreverse outlist))))
+
+(defun htmlize-display-prop-to-html (display text)
+  (let (desc)
+    (cond ((stringp display)
+           ;; Emacs ignores recursive display properties.
+           (htmlize-escape-or-link display))
+          ((not (eq (car-safe display) 'image))
+           (htmlize-protect-string text))
+          ((null (setq desc (funcall htmlize-transform-image
+                                     (cdr display) text)))
+           (htmlize-escape-or-link text))
+          ((stringp desc)
+           (htmlize-escape-or-link desc))
+          (t
+           (htmlize-generate-image desc text)))))
+
+(defun htmlize-string-to-html (string)
+  ;; Convert the string to HTML, including images attached as
+  ;; `display' property and links as `htmlize-link' property.  In a
+  ;; string without images or links, this is equivalent to
+  ;; `htmlize-protect-string'.
+  (let ((pos 0) (end (length string)) outlist)
+    (while (< pos end)
+      (let* ((display (get-char-property pos 'display string))
+             (next-display-change (next-single-property-change
+                                   pos 'display string end))
+             (chunk (substring string pos next-display-change)))
+        (push
+         (if display
+             (htmlize-display-prop-to-html display chunk)
+           (htmlize-escape-or-link chunk))
+         outlist)
+        (setq pos next-display-change)))
+    (htmlize-concat (nreverse outlist))))
+
+(defun htmlize-default-transform-image (imgprops _text)
+  "Default transformation of image descriptor to something usable in HTML.
+
+If `htmlize-use-images' is nil, the function always returns nil, meaning
+use original text.  Otherwise, it tries to find the image for images that
+specify a file name.  If `htmlize-force-inline-images' is non-nil, it also
+converts the :file attribute to :data and returns the modified property
+list."
+  (when htmlize-use-images
+    (when (plist-get imgprops :file)
+      (let ((location (plist-get (cdr (find-image (list imgprops))) :file)))
+        (when location
+          (setq imgprops (plist-put (cl-copy-list imgprops) :file location)))))
+    (if htmlize-force-inline-images
+        (let ((location (plist-get imgprops :file))
+              data)
+          (when location
+            (with-temp-buffer
+              (condition-case nil
+                  (progn
+                    (insert-file-contents-literally location)
+                    (setq data (buffer-string)))
+                (error nil))))
+          ;; if successful, return the new plist, otherwise return
+          ;; nil, which will use the original text
+          (and data
+               (plist-put (plist-put imgprops :file nil)
+                          :data data)))
+      imgprops)))
+
+(defun htmlize-alt-text (_imgprops origtext)
+  (and (/= (length origtext) 0)
+       (<= (length origtext) htmlize-max-alt-text)
+       (not (string-match "[\0-\x1f]" origtext))
+       origtext))
+
+(defun htmlize-generate-image (imgprops origtext)
+  (let* ((alt-text (htmlize-alt-text imgprops origtext))
+         (alt-attr (if alt-text
+                       (format " alt=\"%s\"" (htmlize-attr-escape alt-text))
+                     "")))
+    (cond ((plist-get imgprops :file)
+           ;; Try to find the image in image-load-path
+           (let* ((found-props (cdr (find-image (list imgprops))))
+                  (file (or (plist-get found-props :file)
+                            (plist-get imgprops :file))))
+             (format ""
+                     (htmlize-attr-escape (file-relative-name file))
+                     alt-attr)))
+          ((plist-get imgprops :data)
+           (format ""
+                   (or (plist-get imgprops :type) "")
+                   (base64-encode-string (plist-get imgprops :data))
+                   alt-attr)))))
+
+(defconst htmlize-ellipsis "...")
+(put-text-property 0 (length htmlize-ellipsis) 'htmlize-ellipsis t htmlize-ellipsis)
+
+(defun htmlize-match-inv-spec (inv)
+  (cl-member inv buffer-invisibility-spec
+             :key (lambda (i)
+                    (if (symbolp i) i (car i)))))
+
+(defun htmlize-decode-invisibility-spec (invisible)
+  ;; Return t, nil, or `ellipsis', depending on how invisible text should be inserted.
+
+  (if (not (listp buffer-invisibility-spec))
+      ;; If buffer-invisibility-spec is not a list, then all
+      ;; characters with non-nil `invisible' property are visible.
+      (not invisible)
+
+    ;; Otherwise, the value of a non-nil `invisible' property can be:
+    ;; 1. a symbol -- make the text invisible if it matches
+    ;;    buffer-invisibility-spec.
+    ;; 2. a list of symbols -- make the text invisible if
+    ;;    any symbol in the list matches
+    ;;    buffer-invisibility-spec.
+    ;; If the match of buffer-invisibility-spec has a non-nil
+    ;; CDR, replace the invisible text with an ellipsis.
+    (let ((match (if (symbolp invisible)
+                     (htmlize-match-inv-spec invisible)
+                   (cl-some #'htmlize-match-inv-spec invisible))))
+      (cond ((null match) t)
+            ((cdr-safe (car match)) 'ellipsis)
+            (t nil)))))
+
+(defun htmlize-add-before-after-strings (beg end text)
+  ;; Find overlays specifying before-string and after-string in [beg,
+  ;; pos).  If any are found, splice them into TEXT and return the new
+  ;; text.
+  (let (additions)
+    (dolist (overlay (overlays-in beg end))
+      (let ((before (overlay-get overlay 'before-string))
+            (after (overlay-get overlay 'after-string)))
+        (when after
+          (push (cons (- (overlay-end overlay) beg)
+                      after)
+                additions))
+        (when before
+          (push (cons (- (overlay-start overlay) beg)
+                      before)
+                additions))))
+    (if additions
+        (let ((textlist nil)
+              (strpos 0))
+          (dolist (add (cl-stable-sort additions #'< :key #'car))
+            (let ((addpos (car add))
+                  (addtext (cdr add)))
+              (push (substring text strpos addpos) textlist)
+              (push addtext textlist)
+              (setq strpos addpos)))
+          (push (substring text strpos) textlist)
+          (apply #'concat (nreverse textlist)))
+      text)))
+
+(defun htmlize-copy-prop (prop beg end string)
+  ;; Copy the specified property from the specified region of the
+  ;; buffer to the target string.  We cannot rely on Emacs to copy the
+  ;; property because we want to handle properties coming from both
+  ;; text properties and overlays.
+  (let ((pos beg))
+    (while (< pos end)
+      (let ((value (get-char-property pos prop))
+            (next-change (htmlize-next-change pos prop end)))
+        (when value
+          (put-text-property (- pos beg) (- next-change beg)
+                             prop value string))
+        (setq pos next-change)))))
+
+(defun htmlize-get-text-with-display (beg end)
+  ;; Like buffer-substring-no-properties, except it copies the
+  ;; `display' property from the buffer, if found.
+  (let ((text (buffer-substring-no-properties beg end)))
+    (htmlize-copy-prop 'display beg end text)
+    (htmlize-copy-prop 'htmlize-link beg end text)
+    (setq text (htmlize-add-before-after-strings beg end text))
+    text))
+
+(defun htmlize-buffer-substring-no-invisible (beg end)
+  ;; Like buffer-substring-no-properties, but don't copy invisible
+  ;; parts of the region.  Where buffer-substring-no-properties
+  ;; mandates an ellipsis to be shown, htmlize-ellipsis is inserted.
+  (let ((pos beg)
+	visible-list invisible show last-show next-change)
+    ;; Iterate over the changes in the `invisible' property and filter
+    ;; out the portions where it's non-nil, i.e. where the text is
+    ;; invisible.
+    (while (< pos end)
+      (setq invisible (get-char-property pos 'invisible)
+	    next-change (htmlize-next-change pos 'invisible end)
+            show (htmlize-decode-invisibility-spec invisible))
+      (cond ((eq show t)
+	     (push (htmlize-get-text-with-display pos next-change)
+                   visible-list))
+            ((and (eq show 'ellipsis)
+                  (not (eq last-show 'ellipsis))
+                  ;; Conflate successive ellipses.
+                  (push htmlize-ellipsis visible-list))))
+      (setq pos next-change last-show show))
+    (htmlize-concat (nreverse visible-list))))
+
+(defun htmlize-trim-ellipsis (text)
+  ;; Remove htmlize-ellipses ("...") from the beginning of TEXT if it
+  ;; starts with it.  It checks for the special property of the
+  ;; ellipsis so it doesn't work on ordinary text that begins with
+  ;; "...".
+  (if (get-text-property 0 'htmlize-ellipsis text)
+      (substring text (length htmlize-ellipsis))
+    text))
+
+(defconst htmlize-tab-spaces
+  ;; A table of strings with spaces.  (aref htmlize-tab-spaces 5) is
+  ;; like (make-string 5 ?\ ), except it doesn't cons.
+  (let ((v (make-vector 32 nil)))
+    (dotimes (i (length v))
+      (setf (aref v i) (make-string i ?\ )))
+    v))
+
+(defun htmlize-untabify-string (text start-column)
+  "Untabify TEXT, assuming it starts at START-COLUMN."
+  (let ((column start-column)
+	(last-match 0)
+	(chunk-start 0)
+	chunks match-pos tab-size)
+    (while (string-match "[\t\n]" text last-match)
+      (setq match-pos (match-beginning 0))
+      (cond ((eq (aref text match-pos) ?\t)
+	     ;; Encountered a tab: create a chunk of text followed by
+	     ;; the expanded tab.
+	     (push (substring text chunk-start match-pos) chunks)
+	     ;; Increase COLUMN by the length of the text we've
+	     ;; skipped since last tab or newline.  (Encountering
+	     ;; newline resets it.)
+	     (cl-incf column (- match-pos last-match))
+	     ;; Calculate tab size based on tab-width and COLUMN.
+	     (setq tab-size (- tab-width (% column tab-width)))
+	     ;; Expand the tab, carefully recreating the `display'
+	     ;; property if one was on the TAB.
+             (let ((display (get-text-property match-pos 'display text))
+                   (expanded-tab (aref htmlize-tab-spaces tab-size)))
+               (when display
+                 (put-text-property 0 tab-size 'display display expanded-tab))
+               (push expanded-tab chunks))
+	     (cl-incf column tab-size)
+	     (setq chunk-start (1+ match-pos)))
+	    (t
+	     ;; Reset COLUMN at beginning of line.
+	     (setq column 0)))
+      (setq last-match (1+ match-pos)))
+    ;; If no chunks have been allocated, it means there have been no
+    ;; tabs to expand.  Return TEXT unmodified.
+    (if (null chunks)
+	text
+      (when (< chunk-start (length text))
+	;; Push the remaining chunk.
+	(push (substring text chunk-start) chunks))
+      ;; Generate the output from the available chunks.
+      (htmlize-concat (nreverse chunks)))))
+
+(defun htmlize-extract-text (beg end trailing-ellipsis)
+  ;; Extract buffer text, sans the invisible parts.  Then
+  ;; untabify it and escape the HTML metacharacters.
+  (let ((text (htmlize-buffer-substring-no-invisible beg end)))
+    (when trailing-ellipsis
+      (setq text (htmlize-trim-ellipsis text)))
+    ;; If TEXT ends up empty, don't change trailing-ellipsis.
+    (when (> (length text) 0)
+      (setq trailing-ellipsis
+            (get-text-property (1- (length text))
+                               'htmlize-ellipsis text)))
+    (when htmlize-untabify
+      (setq text (htmlize-untabify-string text (current-column))))
+    (setq text (htmlize-string-to-html text))
+    (cl-values text trailing-ellipsis)))
+
+(defun htmlize-despam-address (string)
+  "Replace every occurrence of '@' in STRING with %40.
+This is used to protect mailto links without modifying their meaning."
+  ;; Suggested by Ville Skytta.
+  (while (string-match "@" string)
+    (setq string (replace-match "%40" nil t string)))
+  string)
+
+(defun htmlize-make-tmp-overlay (beg end props)
+  (let ((overlay (make-overlay beg end)))
+    (overlay-put overlay 'htmlize-tmp-overlay t)
+    (while props
+      (overlay-put overlay (pop props) (pop props)))
+    overlay))
+
+(defun htmlize-delete-tmp-overlays ()
+  (dolist (overlay (overlays-in (point-min) (point-max)))
+    (when (overlay-get overlay 'htmlize-tmp-overlay)
+      (delete-overlay overlay))))
+
+(defun htmlize-make-link-overlay (beg end uri)
+  (htmlize-make-tmp-overlay beg end `(htmlize-link (:uri ,uri))))
+
+(defun htmlize-create-auto-links ()
+  "Add `htmlize-link' property to all mailto links in the buffer."
+  (save-excursion
+    (goto-char (point-min))
+    (while (re-search-forward
+            "<\\(\\(mailto:\\)?\\([-=+_.a-zA-Z0-9]+@[-_.a-zA-Z0-9]+\\)\\)>"
+            nil t)
+      (let* ((address (match-string 3))
+             (beg (match-beginning 0)) (end (match-end 0))
+             (uri (concat "mailto:" (htmlize-despam-address address))))
+        (htmlize-make-link-overlay beg end uri)))
+    (goto-char (point-min))
+    (while (re-search-forward "<\\(\\(URL:\\)?\\([a-zA-Z]+://[^;]+\\)\\)>"
+                              nil t)
+      (htmlize-make-link-overlay
+       (match-beginning 0) (match-end 0) (match-string 3)))))
+
+;; Tests for htmlize-create-auto-links:
+
+;; 
+;; 
+;; 
+;; 
+;; 
+;; 
+
+(defun htmlize-shadow-form-feeds ()
+  (let ((s "\n
"))
+    (put-text-property 0 (length s) 'htmlize-literal t s)
+    (let ((disp `(display ,s)))
+      (while (re-search-forward "\n\^L" nil t)
+        (let* ((beg (match-beginning 0))
+               (end (match-end 0))
+               (form-feed-pos (1+ beg))
+               ;; don't process ^L if invisible or covered by `display'
+               (show (and (htmlize-decode-invisibility-spec
+                           (get-char-property form-feed-pos 'invisible))
+                          (not (get-char-property form-feed-pos 'display)))))
+          (when show
+            (htmlize-make-tmp-overlay beg end disp)))))))
+
+(defun htmlize-defang-local-variables ()
+  ;; Juri Linkov reports that an HTML-ized "Local variables" can lead
+  ;; visiting the HTML to fail with "Local variables list is not
+  ;; properly terminated".  He suggested changing the phrase to
+  ;; syntactically equivalent HTML that Emacs doesn't recognize.
+  (goto-char (point-min))
+  (while (search-forward "Local Variables:" nil t)
+    (replace-match "Local Variables:" nil t)))
+  
+
+;;; Color handling.
+
+(defvar htmlize-x-library-search-path
+  `(,data-directory
+    "/etc/X11/rgb.txt"
+    "/usr/share/X11/rgb.txt"
+    ;; the remainder of this list really belongs in a museum
+    "/usr/X11R6/lib/X11/"
+    "/usr/X11R5/lib/X11/"
+    "/usr/lib/X11R6/X11/"
+    "/usr/lib/X11R5/X11/"
+    "/usr/local/X11R6/lib/X11/"
+    "/usr/local/X11R5/lib/X11/"
+    "/usr/local/lib/X11R6/X11/"
+    "/usr/local/lib/X11R5/X11/"
+    "/usr/X11/lib/X11/"
+    "/usr/lib/X11/"
+    "/usr/local/lib/X11/"
+    "/usr/X386/lib/X11/"
+    "/usr/x386/lib/X11/"
+    "/usr/XFree86/lib/X11/"
+    "/usr/unsupported/lib/X11/"
+    "/usr/athena/lib/X11/"
+    "/usr/local/x11r5/lib/X11/"
+    "/usr/lpp/Xamples/lib/X11/"
+    "/usr/openwin/lib/X11/"
+    "/usr/openwin/share/lib/X11/"))
+
+(defun htmlize-get-color-rgb-hash (&optional rgb-file)
+  "Return a hash table mapping X color names to RGB values.
+The keys in the hash table are X11 color names, and the values are the
+#rrggbb RGB specifications, extracted from `rgb.txt'.
+
+If RGB-FILE is nil, the function will try hard to find a suitable file
+in the system directories.
+
+If no rgb.txt file is found, return nil."
+  (let ((rgb-file (or rgb-file (locate-file
+				"rgb.txt"
+				htmlize-x-library-search-path)))
+	(hash nil))
+    (when rgb-file
+      (with-temp-buffer
+	(insert-file-contents rgb-file)
+	(setq hash (make-hash-table :test 'equal))
+	(while (not (eobp))
+	  (cond ((looking-at "^\\s-*\\([!#]\\|$\\)")
+		 ;; Skip comments and empty lines.
+		 )
+		((looking-at
+		  "[ \t]*\\([0-9]+\\)[ \t]+\\([0-9]+\\)[ \t]+\\([0-9]+\\)[ \t]+\\(.*\\)")
+		 (setf (gethash (downcase (match-string 4)) hash)
+		       (format "#%02x%02x%02x"
+			       (string-to-number (match-string 1))
+			       (string-to-number (match-string 2))
+			       (string-to-number (match-string 3)))))
+		(t
+		 (error
+		  "Unrecognized line in %s: %s"
+		  rgb-file
+		  (buffer-substring (point) (progn (end-of-line) (point))))))
+	  (forward-line 1))))
+    hash))
+
+;; Compile the RGB map when loaded.  On systems where rgb.txt is
+;; missing, the value of the variable will be nil, and rgb.txt will
+;; not be used.
+(defvar htmlize-color-rgb-hash (htmlize-get-color-rgb-hash))
+
+;;; Face handling.
+
+(defun htmlize-face-color-internal (face fg)
+  ;; Used only under GNU Emacs.  Return the color of FACE, but don't
+  ;; return "unspecified-fg" or "unspecified-bg".  If the face is
+  ;; `default' and the color is unspecified, look up the color in
+  ;; frame parameters.
+  (let* ((function (if fg #'face-foreground #'face-background))
+	 (color (funcall function face nil t)))
+    (when (and (eq face 'default) (null color))
+      (setq color (cdr (assq (if fg 'foreground-color 'background-color)
+			     (frame-parameters)))))
+    (when (or (eq color 'unspecified)
+	      (equal color "unspecified-fg")
+	      (equal color "unspecified-bg"))
+      (setq color nil))
+    (when (and (eq face 'default)
+	       (null color))
+      ;; Assuming black on white doesn't seem right, but I can't think
+      ;; of anything better to do.
+      (setq color (if fg "black" "white")))
+    color))
+
+(defun htmlize-face-foreground (face)
+  ;; Return the name of the foreground color of FACE.  If FACE does
+  ;; not specify a foreground color, return nil.
+  (htmlize-face-color-internal face t))
+
+(defun htmlize-face-background (face)
+  ;; Return the name of the background color of FACE.  If FACE does
+  ;; not specify a background color, return nil.
+  ;; GNU Emacs.
+  (htmlize-face-color-internal face nil))
+
+;; Convert COLOR to the #RRGGBB string.  If COLOR is already in that
+;; format, it's left unchanged.
+
+(defun htmlize-color-to-rgb (color)
+  (let ((rgb-string nil))
+    (cond ((null color)
+	   ;; Ignore nil COLOR because it means that the face is not
+	   ;; specifying any color.  Hence (htmlize-color-to-rgb nil)
+	   ;; returns nil.
+	   )
+	  ((string-match "\\`#" color)
+	   ;; The color is already in #rrggbb format.
+	   (setq rgb-string color))
+	  ((and htmlize-use-rgb-txt
+		htmlize-color-rgb-hash)
+	   ;; Use of rgb.txt is requested, and it's available on the
+	   ;; system.  Use it.
+	   (setq rgb-string (gethash (downcase color) htmlize-color-rgb-hash)))
+	  (t
+	   ;; We're getting the RGB components from Emacs.
+	   (let ((rgb (mapcar (lambda (arg)
+                                (/ arg 256))
+                              (color-values color))))
+	     (when rgb
+	       (setq rgb-string (apply #'format "#%02x%02x%02x" rgb))))))
+    ;; If RGB-STRING is still nil, it means the color cannot be found,
+    ;; for whatever reason.  In that case just punt and return COLOR.
+    ;; Most browsers support a decent set of color names anyway.
+    (or rgb-string color)))
+
+;; We store the face properties we care about into an
+;; `htmlize-fstruct' type.  That way we only have to analyze face
+;; properties, which can be time consuming, once per each face.  The
+;; mapping between Emacs faces and htmlize-fstructs is established by
+;; htmlize-make-face-map.  The name "fstruct" refers to variables of
+;; type `htmlize-fstruct', while the term "face" is reserved for Emacs
+;; faces.
+
+(cl-defstruct htmlize-fstruct
+  foreground				; foreground color, #rrggbb
+  background				; background color, #rrggbb
+  size					; size
+  boldp					; whether face is bold
+  italicp				; whether face is italic
+  underlinep				; whether face is underlined
+  overlinep				; whether face is overlined
+  strikep				; whether face is struck through
+  css-name				; CSS name of face
+  )
+
+(defun htmlize-face-set-from-keyword-attr (fstruct attr value)
+  ;; For ATTR and VALUE, set the equivalent value in FSTRUCT.
+  (cl-case attr
+    (:foreground
+     (setf (htmlize-fstruct-foreground fstruct) (htmlize-color-to-rgb value)))
+    (:background
+     (setf (htmlize-fstruct-background fstruct) (htmlize-color-to-rgb value)))
+    (:height
+     (setf (htmlize-fstruct-size fstruct) value))
+    (:weight
+     (when (string-match (symbol-name value) "bold")
+       (setf (htmlize-fstruct-boldp fstruct) t)))
+    (:slant
+     (setf (htmlize-fstruct-italicp fstruct) (or (eq value 'italic)
+						 (eq value 'oblique))))
+    (:bold
+     (setf (htmlize-fstruct-boldp fstruct) value))
+    (:italic
+     (setf (htmlize-fstruct-italicp fstruct) value))
+    (:underline
+     (setf (htmlize-fstruct-underlinep fstruct) value))
+    (:overline
+     (setf (htmlize-fstruct-overlinep fstruct) value))
+    (:strike-through
+     (setf (htmlize-fstruct-strikep fstruct) value))))
+
+(defun htmlize-face-size (face)
+  ;; The size (height) of FACE, taking inheritance into account.
+  ;; Only works in Emacs 21 and later.
+  (let* ((face-list (list face))
+         (head face-list)
+         (tail face-list))
+    (while head
+      (let ((inherit (face-attribute (car head) :inherit)))
+        (cond ((listp inherit)
+               (setcdr tail (cl-copy-list inherit))
+               (setq tail (last tail)))
+              ((eq inherit 'unspecified))
+              (t
+               (setcdr tail (list inherit))
+               (setq tail (cdr tail)))))
+      (pop head))
+    (let ((size-list
+           (cl-loop
+            for f in face-list
+            for h = (face-attribute f :height)
+            collect (if (eq h 'unspecified) nil h))))
+      (cl-reduce 'htmlize-merge-size (cons nil size-list)))))
+
+(defun htmlize-face-css-name (face)
+  ;; Generate the css-name property for the given face.  Emacs places
+  ;; no restrictions on the names of symbols that represent faces --
+  ;; any characters may be in the name, even control chars.  We try
+  ;; hard to beat the face name into shape, both esthetically and
+  ;; according to CSS1 specs.
+  (let ((name (downcase (symbol-name face))))
+    (when (string-match "\\`font-lock-" name)
+      ;; font-lock-FOO-face -> FOO.
+      (setq name (replace-match "" t t name)))
+    (when (string-match "-face\\'" name)
+      ;; Drop the redundant "-face" suffix.
+      (setq name (replace-match "" t t name)))
+    (while (string-match "[^-a-zA-Z0-9]" name)
+      ;; Drop the non-alphanumerics.
+      (setq name (replace-match "X" t t name)))
+    (when (string-match "\\`[-0-9]" name)
+      ;; CSS identifiers may not start with a digit.
+      (setq name (concat "X" name)))
+    ;; After these transformations, the face could come out empty.
+    (when (equal name "")
+      (setq name "face"))
+    ;; Apply the prefix.
+    (concat htmlize-css-name-prefix name)))
+
+(defun htmlize-face-to-fstruct-1 (face)
+  "Convert Emacs face FACE to fstruct, internal."
+  (let ((fstruct (make-htmlize-fstruct
+		  :foreground (htmlize-color-to-rgb
+			       (htmlize-face-foreground face))
+		  :background (htmlize-color-to-rgb
+			       (htmlize-face-background face)))))
+    ;; GNU Emacs
+    (dolist (attr '(:weight :slant :underline :overline :strike-through))
+      (let ((value (face-attribute face attr nil t)))
+        (when (and value (not (eq value 'unspecified)))
+          (htmlize-face-set-from-keyword-attr fstruct attr value))))
+    (let ((size (htmlize-face-size face)))
+      (unless (eql size 1.0)            ; ignore non-spec
+        (setf (htmlize-fstruct-size fstruct) size)))
+    (setf (htmlize-fstruct-css-name fstruct) (htmlize-face-css-name face))
+    fstruct))
+
+(defun htmlize-face-to-fstruct (face)
+  (let* ((face-list (or (and (symbolp face)
+                             (cdr (assq face face-remapping-alist)))
+                        (list face)))
+         (fstruct (htmlize-merge-faces
+                   (mapcar (lambda (face)
+                             (if (symbolp face)
+                                 (or (htmlize-get-override-fstruct face)
+                                     (htmlize-face-to-fstruct-1 face))
+                               (htmlize-attrlist-to-fstruct face)))
+                           (nreverse face-list)))))
+    (when (symbolp face)
+      (setf (htmlize-fstruct-css-name fstruct) (htmlize-face-css-name face)))
+    fstruct))
+
+(defmacro htmlize-copy-attr-if-set (attr-list dest source)
+  ;; Generate code with the following pattern:
+  ;; (progn
+  ;;   (when (htmlize-fstruct-ATTR source)
+  ;;     (setf (htmlize-fstruct-ATTR dest) (htmlize-fstruct-ATTR source)))
+  ;;   ...)
+  ;; for the given list of boolean attributes.
+  (cons 'progn
+	(cl-loop for attr in attr-list
+	         for attr-sym = (intern (format "htmlize-fstruct-%s" attr))
+	         collect `(when (,attr-sym ,source)
+                            (setf (,attr-sym ,dest) (,attr-sym ,source))))))
+
+(defun htmlize-merge-size (merged next)
+  ;; Calculate the size of the merge of MERGED and NEXT.
+  (cond ((null merged)     next)
+	((integerp next)   next)
+	((null next)       merged)
+	((floatp merged)   (* merged next))
+	((integerp merged) (round (* merged next)))))
+
+(defun htmlize-merge-two-faces (merged next)
+  (htmlize-copy-attr-if-set
+   (foreground background boldp italicp underlinep overlinep strikep)
+   merged next)
+  (setf (htmlize-fstruct-size merged)
+	(htmlize-merge-size (htmlize-fstruct-size merged)
+			    (htmlize-fstruct-size next)))
+  merged)
+
+(defun htmlize-merge-faces (fstruct-list)
+  (cond ((null fstruct-list)
+	 ;; Nothing to do, return a dummy face.
+	 (make-htmlize-fstruct))
+	((null (cdr fstruct-list))
+	 ;; Optimize for the common case of a single face, simply
+	 ;; return it.
+	 (car fstruct-list))
+	(t
+	 (cl-reduce #'htmlize-merge-two-faces
+		    (cons (make-htmlize-fstruct) fstruct-list)))))
+
+;; GNU Emacs 20+ supports attribute lists in `face' properties.  For
+;; example, you can use `(:foreground "red" :weight bold)' as an
+;; overlay's "face", or you can even use a list of such lists, etc.
+;; We call those "attrlists".
+;;
+;; htmlize supports attrlist by converting them to fstructs, the same
+;; as with regular faces.
+
+(defun htmlize-attrlist-to-fstruct (attrlist &optional name)
+  ;; Like htmlize-face-to-fstruct, but accepts an ATTRLIST as input.
+  (let ((fstruct (make-htmlize-fstruct)))
+    (cond ((eq (car attrlist) 'foreground-color)
+	   ;; ATTRLIST is (foreground-color . COLOR)
+	   (setf (htmlize-fstruct-foreground fstruct)
+		 (htmlize-color-to-rgb (cdr attrlist))))
+	  ((eq (car attrlist) 'background-color)
+	   ;; ATTRLIST is (background-color . COLOR)
+	   (setf (htmlize-fstruct-background fstruct)
+		 (htmlize-color-to-rgb (cdr attrlist))))
+	  (t
+	   ;; ATTRLIST is a plist.
+	   (while attrlist
+	     (let ((attr (pop attrlist))
+		   (value (pop attrlist)))
+	       (when (and value (not (eq value 'unspecified)))
+		 (htmlize-face-set-from-keyword-attr fstruct attr value))))))
+    (setf (htmlize-fstruct-css-name fstruct) (or name "custom"))
+    fstruct))
+
+(defun htmlize-decode-face-prop (prop)
+  "Turn face property PROP into a list of face-like objects."
+  ;; PROP can be a symbol naming a face, a string naming such a
+  ;; symbol, a cons (foreground-color . COLOR) or (background-color
+  ;; COLOR), a property list (:attr1 val1 :attr2 val2 ...), or a list
+  ;; of any of those.
+  ;;
+  ;; (htmlize-decode-face-prop 'face) -> (face)
+  ;; (htmlize-decode-face-prop '(face1 face2)) -> (face1 face2)
+  ;; (htmlize-decode-face-prop '(:attr "val")) -> ((:attr "val"))
+  ;; (htmlize-decode-face-prop '((:attr "val") face (foreground-color "red")))
+  ;;   -> ((:attr "val") face (foreground-color "red"))
+  ;;
+  ;; Unrecognized atoms or non-face symbols/strings are silently
+  ;; stripped away.
+  (cond ((null prop)
+         nil)
+        ((symbolp prop)
+         (and (facep prop)
+              (list prop)))
+        ((stringp prop)
+         (and (facep (intern-soft prop))
+              (list prop)))
+        ((atom prop)
+         nil)
+        ((and (symbolp (car prop))
+              (eq ?: (aref (symbol-name (car prop)) 0)))
+         (list prop))
+        ((or (eq (car prop) 'foreground-color)
+             (eq (car prop) 'background-color))
+         (list prop))
+        (t
+         (apply #'nconc (mapcar #'htmlize-decode-face-prop prop)))))
+
+(defun htmlize-get-override-fstruct (face)
+  (let* ((raw-def (plist-get htmlize-face-overrides face))
+         (def (cond ((stringp raw-def) (list :foreground raw-def))
+                    ((listp raw-def) raw-def)
+                    (t
+                     (error (format (concat "face override must be an "
+                                            "attribute list or string, got %s")
+                                    raw-def))))))
+    (and def
+         (htmlize-attrlist-to-fstruct def (symbol-name face)))))
+
+(defun htmlize-make-face-map (faces)
+  ;; Return a hash table mapping Emacs faces to htmlize's fstructs.
+  ;; The keys are either face symbols or attrlists, so the test
+  ;; function must be `equal'.
+  (let ((face-map (make-hash-table :test 'equal))
+	css-names)
+    (dolist (face faces)
+      (unless (gethash face face-map)
+	;; Haven't seen FACE yet; convert it to an fstruct and cache
+	;; it.
+	(let ((fstruct (htmlize-face-to-fstruct face)))
+	  (setf (gethash face face-map) fstruct)
+	  (let* ((css-name (htmlize-fstruct-css-name fstruct))
+		 (new-name css-name)
+		 (i 0))
+	    ;; Uniquify the face's css-name by using NAME-1, NAME-2,
+	    ;; etc.
+	    (while (member new-name css-names)
+	      (setq new-name (format "%s-%s" css-name (cl-incf i))))
+	    (unless (equal new-name css-name)
+	      (setf (htmlize-fstruct-css-name fstruct) new-name))
+	    (push new-name css-names)))))
+    face-map))
+
+(defun htmlize-unstringify-face (face)
+  "If FACE is a string, return it interned, otherwise return it unchanged."
+  (if (stringp face)
+      (intern face)
+    face))
+
+(defun htmlize-faces-in-buffer ()
+  "Return a list of faces used in the current buffer.
+This is the set of faces specified by the `face' text property and by buffer
+overlays that specify `face'."
+  (let (faces)
+    ;; Faces used by text properties.
+    (let ((pos (point-min)) face-prop next)
+      (while (< pos (point-max))
+        (setq face-prop (get-text-property pos 'face)
+              next (or (next-single-property-change pos 'face) (point-max)))
+        (setq faces (cl-nunion (htmlize-decode-face-prop face-prop)
+                               faces :test 'equal))
+        (setq pos next)))
+    ;; Faces used by overlays.
+    (dolist (overlay (overlays-in (point-min) (point-max)))
+      (let ((face-prop (overlay-get overlay 'face)))
+        (setq faces (cl-nunion (htmlize-decode-face-prop face-prop)
+                               faces :test 'equal))))
+    faces))
+
+(if (>= emacs-major-version 25)
+    (defun htmlize-sorted-overlays-at (pos)
+      (overlays-at pos t))
+
+  (defun htmlize-sorted-overlays-at (pos)
+    ;; Like OVERLAYS-AT with the SORTED argument, for older Emacsen.
+    (let ((overlays (overlays-at pos)))
+      (setq overlays (cl-sort overlays #'<
+                              :key (lambda (o)
+                                     (- (overlay-end o) (overlay-start o)))))
+      (setq overlays
+            (cl-stable-sort overlays #'<
+                            :key (lambda (o)
+                                   (let ((prio (overlay-get o 'priority)))
+                                     (if (numberp prio) prio 0)))))
+      (nreverse overlays))))
+
+
+;; htmlize-faces-at-point returns the faces in use at point.  The
+;; faces are sorted by increasing priority, i.e. the last face takes
+;; precedence.
+;;
+;; This returns all the faces in the `face' property and all the faces
+;; in the overlays at point.
+
+(defun htmlize-faces-at-point ()
+  (let (all-faces)
+    ;; Faces from text properties.
+    (let ((face-prop (get-text-property (point) 'face)))
+      ;; we need to reverse the `face' prop because we want
+      ;; more specific faces to come later
+      (setq all-faces (nreverse (htmlize-decode-face-prop face-prop))))
+    ;; Faces from overlays.
+    (let ((overlays
+           ;; Collect overlays at point that specify `face'.
+           (cl-delete-if-not (lambda (o)
+                               (overlay-get o 'face))
+                             (nreverse (htmlize-sorted-overlays-at (point)))))
+          list face-prop)
+      (dolist (overlay overlays)
+        (setq face-prop (overlay-get overlay 'face)
+              list (nconc (htmlize-decode-face-prop face-prop) list)))
+      ;; Under "Merging Faces" the manual explicitly states
+      ;; that faces specified by overlays take precedence over
+      ;; faces specified by text properties.
+      (setq all-faces (nconc all-faces list)))
+    all-faces))
+
+;; htmlize supports generating HTML in several flavors, some of which
+;; use CSS, and others the  element.  We take an OO approach and
+;; define "methods" that indirect to the functions that depend on
+;; `htmlize-output-type'.  The currently used methods are `doctype',
+;; `insert-head', `body-tag', `pre-tag', and `text-markup'.  Not all
+;; output types define all methods.
+;;
+;; Methods are called either with (htmlize-method METHOD ARGS...) 
+;; special form, or by accessing the function with
+;; (htmlize-method-function 'METHOD) and calling (funcall FUNCTION).
+;; The latter form is useful in tight loops because `htmlize-method'
+;; conses.
+
+(defmacro htmlize-method (method &rest args)
+  ;; Expand to (htmlize-TYPE-METHOD ...ARGS...).  TYPE is the value of
+  ;; `htmlize-output-type' at run time.
+  `(funcall (htmlize-method-function ',method) ,@args))
+
+(defun htmlize-method-function (method)
+  ;; Return METHOD's function definition for the current output type.
+  ;; The returned object can be safely funcalled.
+  (let ((sym (intern (format "htmlize-%s-%s" htmlize-output-type method))))
+    (indirect-function (if (fboundp sym)
+			   sym
+			 (let ((default (intern (concat "htmlize-default-"
+							(symbol-name method)))))
+			   (if (fboundp default)
+			       default
+			     'ignore))))))
+
+(defvar htmlize-memoization-table (make-hash-table :test 'equal))
+
+(defmacro htmlize-memoize (key generator)
+  "Return the value of GENERATOR, memoized as KEY.
+That means that GENERATOR will be evaluated and returned the first time
+it's called with the same value of KEY.  All other times, the cached
+\(memoized) value will be returned."
+  (let ((value (cl-gensym)))
+    `(let ((,value (gethash ,key htmlize-memoization-table)))
+       (unless ,value
+	 (setq ,value ,generator)
+	 (setf (gethash ,key htmlize-memoization-table) ,value))
+       ,value)))
+
+;;; Default methods.
+
+(defun htmlize-default-doctype ()
+  nil					; no doc-string
+  ;; Note that the `font' output is technically invalid under this DTD
+  ;; because the DTD doesn't allow embedding  in 
.
+  ""
+  )
+
+(defun htmlize-default-body-tag (face-map)
+  nil					; no doc-string
+  face-map ; shut up the byte-compiler
+  "")
+
+(defun htmlize-default-pre-tag (face-map)
+  nil					; no doc-string
+  face-map ; shut up the byte-compiler
+  "
")
+
+
+;;; CSS based output support.
+
+;; Internal function; not a method.
+(defun htmlize-css-specs (fstruct)
+  (let (result)
+    (when (htmlize-fstruct-foreground fstruct)
+      (push (format "color: %s;" (htmlize-fstruct-foreground fstruct))
+	    result))
+    (when (htmlize-fstruct-background fstruct)
+      (push (format "background-color: %s;"
+		    (htmlize-fstruct-background fstruct))
+	    result))
+    (let ((size (htmlize-fstruct-size fstruct)))
+      (when (and size (not (eq htmlize-ignore-face-size t)))
+	(cond ((floatp size)
+	       (push (format "font-size: %d%%;" (* 100 size)) result))
+	      ((not (eq htmlize-ignore-face-size 'absolute))
+	       (push (format "font-size: %spt;" (/ size 10.0)) result)))))
+    (when (htmlize-fstruct-boldp fstruct)
+      (push "font-weight: bold;" result))
+    (when (htmlize-fstruct-italicp fstruct)
+      (push "font-style: italic;" result))
+    (when (htmlize-fstruct-underlinep fstruct)
+      (push "text-decoration: underline;" result))
+    (when (htmlize-fstruct-overlinep fstruct)
+      (push "text-decoration: overline;" result))
+    (when (htmlize-fstruct-strikep fstruct)
+      (push "text-decoration: line-through;" result))
+    (nreverse result)))
+
+(defun htmlize-css-insert-head (buffer-faces face-map)
+  (insert "    \n"))
+
+(defun htmlize-css-text-markup (fstruct-list buffer)
+  ;; Open the markup needed to insert text colored with FACES into
+  ;; BUFFER.  Return the function that closes the markup.
+
+  ;; In CSS mode, this is easy: just nest the text in one  tag for each face in FSTRUCT-LIST.
+  (dolist (fstruct fstruct-list)
+    (princ "" buffer))
+  (htmlize-lexlet ((fstruct-list fstruct-list) (buffer buffer))
+    (lambda ()
+      (dolist (fstruct fstruct-list)
+        (ignore fstruct)                ; shut up the byte-compiler
+        (princ "" buffer)))))
+
+;; `inline-css' output support.
+
+(defun htmlize-inline-css-body-tag (face-map)
+  (format ""
+	  (mapconcat #'identity (htmlize-css-specs (gethash 'default face-map))
+		     " ")))
+
+(defun htmlize-inline-css-pre-tag (face-map)
+  (if htmlize-pre-style
+      (format "
"
+              (mapconcat #'identity (htmlize-css-specs (gethash 'default face-map))
+                         " "))
+    (format "
")))
+
+(defun htmlize-inline-css-text-markup (fstruct-list buffer)
+  (let* ((merged (htmlize-merge-faces fstruct-list))
+	 (style (htmlize-memoize
+		 merged
+		 (let ((specs (htmlize-css-specs merged)))
+		   (and specs
+			(mapconcat #'identity (htmlize-css-specs merged) " "))))))
+    (when style
+      (princ "" buffer))
+    (htmlize-lexlet ((style style) (buffer buffer))
+      (lambda ()
+        (when style
+          (princ "" buffer))))))
+
+;;; `font' tag based output support.
+
+(defun htmlize-font-body-tag (face-map)
+  (let ((fstruct (gethash 'default face-map)))
+    (format ""
+	    (htmlize-fstruct-foreground fstruct)
+	    (htmlize-fstruct-background fstruct))))
+
+(defun htmlize-font-pre-tag (face-map)
+  (if htmlize-pre-style
+      (let ((fstruct (gethash 'default face-map)))
+        (format "
"
+                (htmlize-fstruct-foreground fstruct)
+                (htmlize-fstruct-background fstruct)))
+    (format "
")))
+       
+(defun htmlize-font-text-markup (fstruct-list buffer)
+  ;; In `font' mode, we use the traditional HTML means of altering
+  ;; presentation:  tag for colors,  for bold,  for
+  ;; underline, and  for strike-through.
+  (let* ((merged (htmlize-merge-faces fstruct-list))
+	 (markup (htmlize-memoize
+		  merged
+		  (cons (concat
+			 (and (htmlize-fstruct-foreground merged)
+			      (format "" (htmlize-fstruct-foreground merged)))
+			 (and (htmlize-fstruct-boldp merged)      "")
+			 (and (htmlize-fstruct-italicp merged)    "")
+			 (and (htmlize-fstruct-underlinep merged) "")
+			 (and (htmlize-fstruct-strikep merged)    ""))
+			(concat
+			 (and (htmlize-fstruct-strikep merged)    "")
+			 (and (htmlize-fstruct-underlinep merged) "")
+			 (and (htmlize-fstruct-italicp merged)    "")
+			 (and (htmlize-fstruct-boldp merged)      "")
+			 (and (htmlize-fstruct-foreground merged) ""))))))
+    (princ (car markup) buffer)
+    (htmlize-lexlet ((markup markup) (buffer buffer))
+      (lambda ()
+        (princ (cdr markup) buffer)))))
+
+(defun htmlize-buffer-1 ()
+  ;; Internal function; don't call it from outside this file.  Htmlize
+  ;; current buffer, writing the resulting HTML to a new buffer, and
+  ;; return it.  Unlike htmlize-buffer, this doesn't change current
+  ;; buffer or use switch-to-buffer.
+  (save-excursion
+    ;; Protect against the hook changing the current buffer.
+    (save-excursion
+      (run-hooks 'htmlize-before-hook))
+    ;; Convince font-lock support modes to fontify the entire buffer
+    ;; in advance.
+    (htmlize-ensure-fontified)
+    (clrhash htmlize-extended-character-cache)
+    (clrhash htmlize-memoization-table)
+    ;; It's important that the new buffer inherits default-directory
+    ;; from the current buffer.
+    (let ((htmlbuf (generate-new-buffer (if (buffer-file-name)
+                                            (htmlize-make-file-name
+                                             (file-name-nondirectory
+                                              (buffer-file-name)))
+                                          "*html*")))
+          (completed nil))
+      (unwind-protect
+          (let* ((buffer-faces (htmlize-faces-in-buffer))
+                 (face-map (htmlize-make-face-map (cl-adjoin 'default buffer-faces)))
+                 (places (cl-gensym))
+                 (title (if (buffer-file-name)
+                            (file-name-nondirectory (buffer-file-name))
+                          (buffer-name))))
+            (when htmlize-generate-hyperlinks
+              (htmlize-create-auto-links))
+            (when htmlize-replace-form-feeds
+              (htmlize-shadow-form-feeds))
+
+            ;; Initialize HTMLBUF and insert the HTML prolog.
+            (with-current-buffer htmlbuf
+              (buffer-disable-undo)
+              (insert (htmlize-method doctype) ?\n
+                      (format "\n"
+                              htmlize-version htmlize-output-type)
+                      "\n  ")
+              (put places 'head-start (point-marker))
+              (insert "\n"
+                      "    " (htmlize-protect-string title) "\n"
+                      (if htmlize-html-charset
+                          (format (concat "    \n")
+                                  htmlize-html-charset)
+                        "")
+                      htmlize-head-tags)
+              (htmlize-method insert-head buffer-faces face-map)
+              (insert "  ")
+              (put places 'head-end (point-marker))
+              (insert "\n  ")
+              (put places 'body-start (point-marker))
+              (insert (htmlize-method body-tag face-map)
+                      "\n    ")
+              (put places 'content-start (point-marker))
+              (insert (htmlize-method pre-tag face-map) "\n"))
+            (let ((text-markup
+                   ;; Get the inserter method, so we can funcall it inside
+                   ;; the loop.  Not calling `htmlize-method' in the loop
+                   ;; body yields a measurable speed increase.
+                   (htmlize-method-function 'text-markup))
+                  ;; Declare variables used in loop body outside the loop
+                  ;; because it's faster to establish `let' bindings only
+                  ;; once.
+                  next-change text face-list trailing-ellipsis
+                  fstruct-list last-fstruct-list
+                  (close-markup (lambda ())))
+              ;; This loop traverses and reads the source buffer, appending
+              ;; the resulting HTML to HTMLBUF.  This method is fast
+              ;; because: 1) it doesn't require examining the text
+              ;; properties char by char (htmlize-next-face-change is used
+              ;; to move between runs with the same face), and 2) it doesn't
+              ;; require frequent buffer switches, which are slow because
+              ;; they rebind all buffer-local vars.
+              (goto-char (point-min))
+              (while (not (eobp))
+                (setq next-change (htmlize-next-face-change (point)))
+                ;; Get faces in use between (point) and NEXT-CHANGE, and
+                ;; convert them to fstructs.
+                (setq face-list (htmlize-faces-at-point)
+                      fstruct-list (delq nil (mapcar (lambda (f)
+                                                       (gethash f face-map))
+                                                     face-list)))
+                (cl-multiple-value-setq (text trailing-ellipsis)
+                  (htmlize-extract-text (point) next-change trailing-ellipsis))
+                ;; Don't bother writing anything if there's no text (this
+                ;; happens in invisible regions).
+                (when (> (length text) 0)
+                  ;; Open the new markup if necessary and insert the text.
+                  (when (not (cl-equalp fstruct-list last-fstruct-list))
+                    (funcall close-markup)
+                    (setq last-fstruct-list fstruct-list
+                          close-markup (funcall text-markup fstruct-list htmlbuf)))
+                  (princ text htmlbuf))
+                (goto-char next-change))
+
+              ;; We've gone through the buffer; close the markup from
+              ;; the last run, if any.
+              (funcall close-markup))
+
+            ;; Insert the epilog and post-process the buffer.
+            (with-current-buffer htmlbuf
+              (insert "
")
+              (put places 'content-end (point-marker))
+              (insert "\n  ")
+              (put places 'body-end (point-marker))
+              (insert "\n\n")
+              (htmlize-defang-local-variables)
+              (goto-char (point-min))
+              (when htmlize-html-major-mode
+                ;; What sucks about this is that the minor modes, most notably
+                ;; font-lock-mode, won't be initialized.  Oh well.
+                (funcall htmlize-html-major-mode))
+              (set (make-local-variable 'htmlize-buffer-places)
+                   (symbol-plist places))
+              (run-hooks 'htmlize-after-hook)
+              (buffer-enable-undo))
+            (setq completed t)
+            htmlbuf)
+
+        (when (not completed)
+          (kill-buffer htmlbuf))
+        (htmlize-delete-tmp-overlays)))))
+
+;; Utility functions.
+
+(defmacro htmlize-with-fontify-message (&rest body)
+  ;; When forcing fontification of large buffers in
+  ;; htmlize-ensure-fontified, inform the user that he is waiting for
+  ;; font-lock, not for htmlize to finish.
+  `(progn
+     (if (> (buffer-size) 65536)
+	 (message "Forcing fontification of %s..."
+		  (buffer-name (current-buffer))))
+     ,@body
+     (if (> (buffer-size) 65536)
+	 (message "Forcing fontification of %s...done"
+		  (buffer-name (current-buffer))))))
+
+(defun htmlize-ensure-fontified ()
+  ;; If font-lock is being used, ensure that the "support" modes
+  ;; actually fontify the buffer.  If font-lock is not in use, we
+  ;; don't care because, except in htmlize-file, we don't force
+  ;; font-lock on the user.
+  (when font-lock-mode
+    ;; In part taken from ps-print-ensure-fontified in GNU Emacs 21.
+    (when (and (boundp 'jit-lock-mode)
+               (symbol-value 'jit-lock-mode))
+      (htmlize-with-fontify-message
+       (jit-lock-fontify-now (point-min) (point-max))))
+
+    (if (fboundp 'font-lock-ensure)
+        (font-lock-ensure)
+      ;; Emacs prior to 25.1
+      (with-no-warnings
+        (font-lock-mode 1)
+        (font-lock-fontify-buffer)))))
+
+
+;;;###autoload
+(defun htmlize-buffer (&optional buffer)
+  "Convert BUFFER to HTML, preserving colors and decorations.
+
+The generated HTML is available in a new buffer, which is returned.
+When invoked interactively, the new buffer is selected in the current
+window.  The title of the generated document will be set to the buffer's
+file name or, if that's not available, to the buffer's name.
+
+Note that htmlize doesn't fontify your buffers, it only uses the
+decorations that are already present.  If you don't set up font-lock or
+something else to fontify your buffers, the resulting HTML will be
+plain.  Likewise, if you don't like the choice of colors, fix the mode
+that created them, or simply alter the faces it uses."
+  (interactive)
+  (let ((htmlbuf (with-current-buffer (or buffer (current-buffer))
+		   (htmlize-buffer-1))))
+    (when (interactive-p)
+      (switch-to-buffer htmlbuf))
+    htmlbuf))
+
+;;;###autoload
+(defun htmlize-region (beg end)
+  "Convert the region to HTML, preserving colors and decorations.
+See `htmlize-buffer' for details."
+  (interactive "r")
+  ;; Don't let zmacs region highlighting end up in HTML.
+  (when (fboundp 'zmacs-deactivate-region)
+    (zmacs-deactivate-region))
+  (let ((htmlbuf (save-restriction
+		   (narrow-to-region beg end)
+		   (htmlize-buffer-1))))
+    (when (interactive-p)
+      (switch-to-buffer htmlbuf))
+    htmlbuf))
+
+(defun htmlize-region-for-paste (beg end)
+  "Htmlize the region and return just the HTML as a string.
+This forces the `inline-css' style and only returns the HTML body,
+but without the BODY tag.  This should make it useful for inserting
+the text to another HTML buffer."
+  (let* ((htmlize-output-type 'inline-css)
+	 (htmlbuf (htmlize-region beg end)))
+    (unwind-protect
+	(with-current-buffer htmlbuf
+	  (buffer-substring (plist-get htmlize-buffer-places 'content-start)
+			    (plist-get htmlize-buffer-places 'content-end)))
+      (kill-buffer htmlbuf))))
+
+(defun htmlize-region-save-screenshot (beg end)
+  "Save the htmlized (see `htmlize-region-for-paste') region in
+the kill ring. Uses `inline-css', with style information in
+`
' tags, so that the rendering of the marked up text
+approximates the buffer as closely as possible."
+  (interactive "r")
+  (let ((htmlize-pre-style t))
+    (kill-new (htmlize-region-for-paste beg end)))
+  (deactivate-mark))
+
+(defun htmlize-make-file-name (file)
+  "Make an HTML file name from FILE.
+
+In its default implementation, this simply appends `.html' to FILE.
+This function is called by htmlize to create the buffer file name, and
+by `htmlize-file' to create the target file name.
+
+More elaborate transformations are conceivable, such as changing FILE's
+extension to `.html' (\"file.c\" -> \"file.html\").  If you want them,
+overload this function to do it and htmlize will comply."
+  (concat file ".html"))
+
+;; Older implementation of htmlize-make-file-name that changes FILE's
+;; extension to ".html".
+;(defun htmlize-make-file-name (file)
+;  (let ((extension (file-name-extension file))
+;	(sans-extension (file-name-sans-extension file)))
+;    (if (or (equal extension "html")
+;	    (equal extension "htm")
+;	    (equal sans-extension ""))
+;	(concat file ".html")
+;      (concat sans-extension ".html"))))
+
+;;;###autoload
+(defun htmlize-file (file &optional target)
+  "Load FILE, fontify it, convert it to HTML, and save the result.
+
+Contents of FILE are inserted into a temporary buffer, whose major mode
+is set with `normal-mode' as appropriate for the file type.  The buffer
+is subsequently fontified with `font-lock' and converted to HTML.  Note
+that, unlike `htmlize-buffer', this function explicitly turns on
+font-lock.  If a form of highlighting other than font-lock is desired,
+please use `htmlize-buffer' directly on buffers so highlighted.
+
+Buffers currently visiting FILE are unaffected by this function.  The
+function does not change current buffer or move the point.
+
+If TARGET is specified and names a directory, the resulting file will be
+saved there instead of to FILE's directory.  If TARGET is specified and
+does not name a directory, it will be used as output file name."
+  (interactive (list (read-file-name
+		      "HTML-ize file: "
+		      nil nil nil (and (buffer-file-name)
+				       (file-name-nondirectory
+					(buffer-file-name))))))
+  (let ((output-file (if (and target (not (file-directory-p target)))
+			 target
+		       (expand-file-name
+			(htmlize-make-file-name (file-name-nondirectory file))
+			(or target (file-name-directory file)))))
+	;; Try to prevent `find-file-noselect' from triggering
+	;; font-lock because we'll fontify explicitly below.
+	(font-lock-mode nil)
+	(font-lock-auto-fontify nil)
+	(global-font-lock-mode nil)
+	;; Ignore the size limit for the purposes of htmlization.
+	(font-lock-maximum-size nil))
+    (with-temp-buffer
+      ;; Insert FILE into the temporary buffer.
+      (insert-file-contents file)
+      ;; Set the file name so normal-mode and htmlize-buffer-1 pick it
+      ;; up.  Restore it afterwards so with-temp-buffer's kill-buffer
+      ;; doesn't complain about killing a modified buffer.
+      (let ((buffer-file-name file))
+	;; Set the major mode for the sake of font-lock.
+	(normal-mode)
+	;; htmlize the buffer and save the HTML.
+	(with-current-buffer (htmlize-buffer-1)
+	  (unwind-protect
+	      (progn
+		(run-hooks 'htmlize-file-hook)
+		(write-region (point-min) (point-max) output-file))
+	    (kill-buffer (current-buffer)))))))
+  ;; I haven't decided on a useful return value yet, so just return
+  ;; nil.
+  nil)
+
+;;;###autoload
+(defun htmlize-many-files (files &optional target-directory)
+  "Convert FILES to HTML and save the corresponding HTML versions.
+
+FILES should be a list of file names to convert.  This function calls
+`htmlize-file' on each file; see that function for details.  When
+invoked interactively, you are prompted for a list of files to convert,
+terminated with RET.
+
+If TARGET-DIRECTORY is specified, the HTML files will be saved to that
+directory.  Normally, each HTML file is saved to the directory of the
+corresponding source file."
+  (interactive
+   (list
+    (let (list file)
+      ;; Use empty string as DEFAULT because setting DEFAULT to nil
+      ;; defaults to the directory name, which is not what we want.
+      (while (not (equal (setq file (read-file-name
+				     "HTML-ize file (RET to finish): "
+				     (and list (file-name-directory
+						(car list)))
+				     "" t))
+			 ""))
+	(push file list))
+      (nreverse list))))
+  ;; Verify that TARGET-DIRECTORY is indeed a directory.  If it's a
+  ;; file, htmlize-file will use it as target, and that doesn't make
+  ;; sense.
+  (and target-directory
+       (not (file-directory-p target-directory))
+       (error "target-directory must name a directory: %s" target-directory))
+  (dolist (file files)
+    (htmlize-file file target-directory)))
+
+;;;###autoload
+(defun htmlize-many-files-dired (arg &optional target-directory)
+  "HTMLize dired-marked files."
+  (interactive "P")
+  (htmlize-many-files (dired-get-marked-files nil arg) target-directory))
+
+(provide 'htmlize)
+
+;; Local Variables:
+;; byte-compile-warnings: (not unresolved obsolete)
+;; End:
+
+;;; htmlize.el ends here

From 145f4fba403f10b2c906ea1c6f5006762fef493e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?=
 <32074290+PurplePachyderm@users.noreply.github.com>
Date: Fri, 23 Jul 2021 12:01:14 +0200
Subject: [PATCH 02/34] Add the qmckl_probes interface (#2)

* comment

* Update distance test code

The distance test has been updated to the latest version, with a first attempt at using vfc_probes inside it

* Functional implementation of vfc_probes in the distance tests

This commit has the first functional vfc_ci tests. Verificarlo tests
should be written over the existing tests, and they can be enabled with
the following configure command:

QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install --enable-maintainer-mode --enable-vfc_ci CC="verificarlo-f -Mpreprocess -D VFC_CI" FC="verificarlo-f -Mpreprocess -D VFC_CI" --host=x86_64

The --enable-vfc_ci flag will trigger the linking of the vfc_ci
library. Moreover, as of now, the "-Mpreprocess" and "-D VFC_CI" flags
have to be specified directly here. There is probably an appropriate
macro to place those flags into but I couldn't find it yet, and could
only manage to build the tests this way.

When the VFC_CI preprocessor is defined, somme additional code to
register and export the test probes can be executed (see
qmckl_distance.org).

As of now, the tests are built as normal, even though they are expected
to fail :

make all
make check

From there, the test_qmckl_distance (and potentially the others)
executable can be called at will. This will typically be done
automatically by vfc_ci, but one could manually execute the executable
by defining the following env variables :

VFC_PROBES_OUTPUT="test.csv" VFC_BACKENDS="libinterflop_ieee.so"

depending on the export file and the Verificarlo backend to be used.

The next steps will be to define more tests such as this one, and to
integrate them into a Verificarlo CI workflow (by writing a
vfc_tests_config.json file and using the automatic CI setup
command).

* Error in FOrtran interface fixed

* Added missing Fortran interfaces

* Modify distance test and install process integration

All probes are now ignored using only the preprocessor (instead
of checking for a facultative argument) in the distance test.
Moreover,preprocessing can now be enabled correctly using FCFLAGS
(the issue seemed to come from the order of the arguments passed
to gfortran/verificarlo-f with the preprocessor arg having to come
first).

* Add vfc_probes to AO tests

vfc_probes have been added to qmckl_ao.org in the same way as
qmckl_distance.org, which means that it can be enabled or disabled at
compile time using the --enable-vfc_ci option.

qmckl_distance.org has been slightly modified with a better indentation,
and configure.ac now adds the "-D VFC_CI" flag to CFLAGS when vfc_ci is
enabled.

* Start work on the vfc tests config file and on a probes wrapper

The goal in the next few commits is to make the integration of
vfc_probes even easier by using a wrapper to vfc_probe dedicated to
qmckl. This will make it easier to create a call to vfc_probe that can be
ignored if VFC_CI is not defined in the preprocessor. Once this is done,
the integration will be completed by trying to create an actual workflow
to automatically build the library and execute CI tests.

* Moved qmckl_probes out of src

As of now, qmckl_probes have been moved to tools, and can be built via a
bash script. This approach seems to make more sense, as this should not
be a part of the library itself, but an additional tool to test it.

* Functional Makefile setup to enable qmckl_probes

The current setup builds qmck_probes by adding it to the main QMckl
libray (by adding it to the libtool sources). The Fortran interface's
module still need to be compiled separately.

TODO : Clean the build setup, improve integration in qmckl_tests and
update tests in qmckl_ao with the new syntax.

* New probes syntax in AO tests

* Clean the probes/Makefile setup

The Fortran module is now built a the same time than the main library.
The commit also adds a few fixes in the tests and probes wrapper.

Co-authored-by: Anthony Scemama 
---
 .gitignore               |   1 +
 Makefile.am              |  20 +++++-
 ci_install.sh            |  18 +++++
 org/qmckl_ao.org         |  47 ++++---------
 org/qmckl_distance.org   | 145 +++++++++++++++------------------------
 tools/qmckl_probes.c     | 105 ++++++++++++++++++++++++++++
 tools/qmckl_probes.h     |  65 ++++++++++++++++++
 tools/qmckl_probes_f.f90 |  49 +++++++++++++
 vfc_tests_config.json    |  19 +++++
 9 files changed, 342 insertions(+), 127 deletions(-)
 create mode 100755 ci_install.sh
 create mode 100644 tools/qmckl_probes.c
 create mode 100644 tools/qmckl_probes.h
 create mode 100644 tools/qmckl_probes_f.f90
 create mode 100644 vfc_tests_config.json

diff --git a/.gitignore b/.gitignore
index 8e8dceb..740b513 100644
--- a/.gitignore
+++ b/.gitignore
@@ -22,6 +22,7 @@ m4/ltversion.m4
 m4/lt~obsolete.m4
 qmckl-*.tar.gz
 qmckl.mod
+qmckl_probes_f.mod
 qmckl.pc
 stamp-h1
 tools/compile
diff --git a/Makefile.am b/Makefile.am
index cda95f9..aed1bcb 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -31,7 +31,6 @@
 # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 
 
-
 if VFC_CI
 AM_LDFLAGS=-lvfc_probes -lvfc_probes_f
 endif
@@ -97,6 +96,7 @@ $(src_qmckl_fo): $(src_qmckl_f)
 $(src_qmckl_f): $(srcdir)/$(qmckl_f)
 	cp $(srcdir)/$(qmckl_f) $(src_qmckl_f)
 
+
 share/doc/qmckl/html/index.html: share/doc/qmckl/html/README.html
 	$(ln_s_verbose)cd share/doc/qmckl/html/ && \
         rm -rf index.html && \
@@ -115,13 +115,14 @@ dist_src_DATA = $(ORG_FILES) $(TANGLED_FILES) $(EXPORTED_FILES)
 
 BUILT_SOURCES = $(C_FILES) $(F_FILES) $(FH_FUNC_FILES) $(FH_TYPE_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES) $(qmckl_f) $(qmckl_h) $(header_tests)
 
-CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) $(TANGLED_FILES) $(C_TEST_FILES) $(F_TEST_FILES) $(qmckl_f) $(qmckl_h) $(HTML_FILES) $(TEXT_FILES) share/doc/qmckl/html/index.html $(EXPORTED_FILES) $(header_tests)
+CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) $(TANGLED_FILES) $(C_TEST_FILES) $(F_TEST_FILES) $(qmckl_f) $(qmckl_h) $(HTML_FILES) $(TEXT_FILES) share/doc/qmckl/html/index.html $(EXPORTED_FILES) $(header_tests) $(qmckl_probes_src) $(qmckl_probes_o) qmckl_probes_f.mod
 
 EXTRA_DIST +=                 \
     tools/build_doc.sh        \
     tools/build_makefile.py   \
     tools/build_qmckl_f.sh    \
     tools/build_qmckl_h.sh    \
+    tools/build_qmckl_probes.sh\
     tools/config_doc.el       \
     tools/config_tangle.el    \
     tools/init.el             \
@@ -150,14 +151,27 @@ cat_h_verbose_0 = @echo "  HEADER   $@";
 ## Rules
 ## =====
 
+qmckl_probes_src = src/qmckl_probes.h qmckl_probes.c qmckl_probes_f.f90
+qmckl_probes_o = src/qmckl_probes.o qmckl_probes_f.o
+
 SUFFIXES = .f90 .h .org .c _f.f90 _func.h _type.h _private_func.h _private_type.h
+src_libqmckl_la_SOURCES += src/qmckl_probes.h src/qmckl_probes.c src/qmckl_probes_f.f90
 
 $(qmckl_h): $(H_FUNC_FILES) $(H_TYPE_FILES)
-	$(cat_h_verbose)$(srcdir)/tools/build_qmckl_h.sh
 
 $(qmckl_f): $(FH_FUNC_FILES) $(FH_TYPE_FILES)
 	$(cat_h_verbose)$(srcdir)/tools/build_qmckl_f.sh
 
+
+src/qmckl_probes.c: $(srcdir)/tools/qmckl_probes.c
+	cp $(srcdir)/tools/qmckl_probes.c $(srcdir)/src/qmckl_probes.c
+
+src/qmckl_probes.h: $(srcdir)/tools/qmckl_probes.h
+	cp $(srcdir)/tools/qmckl_probes.h $(srcdir)/src/qmckl_probes.h
+
+src/qmckl_probes_f.f90:
+	cp $(srcdir)/tools/qmckl_probes_f.f90 $(srcdir)/src/qmckl_probes_f.f90
+
 $(htmlize_el):
 	$(srcdir)/tools/install_htmlize.sh $(htmlize_el)
 
diff --git a/ci_install.sh b/ci_install.sh
new file mode 100755
index 0000000..ce4cdaa
--- /dev/null
+++ b/ci_install.sh
@@ -0,0 +1,18 @@
+#!/bin/bash
+
+# This scripts is meant to be used by Verificarlo CI to automatically install
+# the library dependencies and build it with Verificarlo with vfc_probes support
+# enabled.
+
+./autogen.sh
+QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install \
+--enable-silent-rules --enable-maintainer-mode --enable-vfc_ci --host=x86_64 \
+CC="verificarlo-f" FC="verificarlo-f"
+
+make all
+# Here we build the test suite, but expect it to fail because it is run without
+# specifying VFC_BACKENDS. However, the generated executables will be reused
+# individually by the CI.
+make check
+
+exit 0
diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 891fc47..5d201a6 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1,4 +1,4 @@
-#+TITLE: Atomic Orbitals
+qmckl_probe(#+TITLE: Atomic Orbitals
 #+SETUPFILE: ../tools/theme.setup
 #+INCLUDE: ../tools/lib.org
 
@@ -60,9 +60,6 @@ gradients and Laplacian of the atomic basis functions.
 #include 
 #include "chbrclf.h"
 
-#ifdef VFC_CI
-#include 
-#endif
 
 int main() {
     qmckl_context context;
@@ -1399,15 +1396,12 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context, probes) bind(C)
 integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
 #endif
   use qmckl
-
-#ifdef VFC_CI
-    use iso_c_binding
-    use vfc_probes_f
-#endif
+  use qmckl_probes_f
 
   implicit none
 
   integer(c_int64_t), intent(in), value :: context
+  logical(C_BOOL) :: vfc_err
 
 #ifdef VFC_CI
   type(vfc_probes) :: probes
@@ -1438,10 +1432,9 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
   test_qmckl_ao_gaussian_vgl = &
        qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
 
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "ao"//C_NULL_CHAR, "gaussian_vgl"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl"//C_NULL_CHAR, &
     DBLE(test_qmckl_ao_gaussian_vgl))
-#else
+
   if (test_qmckl_ao_gaussian_vgl /= 0) return
 #endif
 
@@ -2449,21 +2442,14 @@ end function qmckl_ao_power_f
 integer(c_int32_t) function test_qmckl_ao_power(context, probes) bind(C)
 #else
 integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
-#endif
 
   use qmckl
-
-#ifdef VFC_CI
-  use iso_c_binding
-  use vfc_probes_f
-#endif
+  use qmckl_probes_f
 
   implicit none
 
-#ifdef VFC_CI
-  type(vfc_probes) :: probes
-  integer(C_INT) :: vfc_err
-#endif
+  logical(C_BOOL) :: vfc_err
+
 
   integer(qmckl_context), intent(in), value :: context
 
@@ -2487,10 +2473,9 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
 
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "ao"//C_NULL_CHAR, "power"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "power"//C_NULL_CHAR, &
     DBLE(test_qmckl_ao_power))
-#else
+
   if (test_qmckl_ao_power /= QMCKL_SUCCESS) return
 #endif
 
@@ -2807,15 +2792,12 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context, probes) bind(C
 integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
 #endif
   use qmckl
-
-#ifdef VFC_CI
-  use iso_c_binding
-  use vfc_probes_f
-#endif
+  use qmckl_probes_f
 
   implicit none
 
   integer(c_int64_t), intent(in), value :: context
+  logical(C_BOOL) :: vfc_err
 
 #ifdef VFC_CI
   type(vfc_probes) :: probes
@@ -2847,10 +2829,9 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
   test_qmckl_ao_polynomial_vgl = &
        qmckl_ao_polynomial_vgl(context, X, R, lmax, n, L, ldl, VGL, ldv)
 
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "ao"//C_NULL_CHAR, "polynomial_vgl"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl"//C_NULL_CHAR, &
     DBLE(test_qmckl_ao_polynomial_vgl))
-#else
+
   if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
   if (n /= d) return
 #endif
diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org
index 804ee69..1ea822f 100644
--- a/org/qmckl_distance.org
+++ b/org/qmckl_distance.org
@@ -290,22 +290,18 @@ end function qmckl_distance_sq_f
 
 *** Test                                                           :noexport:
     #+begin_src f90 :tangle (eval f_test)
-#ifdef VFC_CI
-integer(qmckl_exit_code) function test_qmckl_distance_sq(context, probes) bind(C)
-#else
+
 integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
-#endif
 
   use qmckl
-
-#ifdef VFC_CI
+  use qmckl_probes_f
   use iso_c_binding
-  use vfc_probes_f
-#endif
 
   implicit none
 
   integer(qmckl_context), intent(in), value :: context
+  logical(C_BOOL) :: vfc_err
+
 
 #ifdef VFC_CI
   type(vfc_probes) :: probes
@@ -341,32 +337,28 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-#ifdef VFC_CI
-  print *, "About to create probe"
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_sq_Xt"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq))
-  print *, "Created probe"
-#else
+  vfc_err = qmckl_probe("distance", "distance_sq_Xt", DBLE(test_qmckl_distance_sq))
+
   if (test_qmckl_distance_sq == 0) return
 #endif
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_sq_tX"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq))
-#else
+
+
+  vfc_err = qmckl_probe("distance", "distance_sq_tX", DBLE(test_qmckl_distance_sq))
+  
   if (test_qmckl_distance_sq == 0) return
 #endif
 
+
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_sq_Tt"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_sq_Tt", DBLE(test_qmckl_distance_sq))
+
   if (test_qmckl_distance_sq == 0) return
-#endif
+
 
   test_qmckl_distance_sq = QMCKL_FAILURE
 
@@ -383,12 +375,11 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_sq_nT"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_sq_nT", DBLE(test_qmckl_distance_sq))
+
   if (test_qmckl_distance_sq == 0) return
-#endif
+
 
   test_qmckl_distance_sq = QMCKL_FAILURE
 
@@ -405,12 +396,11 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err =  vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_sq_Tn"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq))
-#else
+
+  vfc_err =  qmckl_probe("distance", "distance_sq_Tn", DBLE(test_qmckl_distance_sq))
+
   if (test_qmckl_distance_sq == 0) return
-#endif
+
 
   test_qmckl_distance_sq = QMCKL_FAILURE
 
@@ -427,12 +417,10 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_sq_nN"//C_NULL_CHAR, DBLE(test_qmckl_distance_sq))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_sq_nN", DBLE(test_qmckl_distance_sq))
+
   if (test_qmckl_distance_sq == 0) return
-#endif
 
   test_qmckl_distance_sq = QMCKL_FAILURE
 
@@ -452,13 +440,8 @@ end function test_qmckl_distance_sq
     #+end_src
 
     #+begin_src c :comments link :tangle (eval c_test)
-#ifdef VFC_CI
-    qmckl_exit_code test_qmckl_distance_sq(qmckl_context context, vfc_probes * probes);
-    assert(test_qmckl_distance_sq(context, &probes) == QMCKL_SUCCESS);
-#else
     qmckl_exit_code test_qmckl_distance_sq(qmckl_context context);
     assert(test_qmckl_distance_sq(context) == QMCKL_SUCCESS);
-#endif
     #+end_src
 * Distance
 
@@ -755,23 +738,17 @@ end function qmckl_distance_f
 
 *** Test                                                           :noexport:
     #+begin_src f90 :tangle (eval f_test)
-#ifdef VFC_CI
-integer(qmckl_exit_code) function test_qmckl_dist(context, probes) bind(C)
-#else
+
 integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
-#endif
+
   use qmckl
-#ifdef VFC_CI
+  use qmckl_probes_f
   use iso_c_binding
-  use vfc_probes_f
-#endif
+
   implicit none
 
   integer(qmckl_context), intent(in), value :: context
-#ifdef VFC_CI
-  type(vfc_probes) :: probes
-  integer(C_INT) :: vfc_err
-#endif
+  logical(C_BOOL) :: vfc_err
 
   double precision, allocatable :: A(:,:), B(:,:), C(:,:)
   integer*8                     :: m, n, LDA, LDB, LDC
@@ -799,30 +776,27 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
 
   test_qmckl_dist = &
        qmckl_distance(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_Xt"//C_NULL_CHAR, DBLE(test_qmckl_dist))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_Xt", DBLE(test_qmckl_dist))
+
   if (test_qmckl_dist == 0) return
 #endif
 
   test_qmckl_dist = &
        qmckl_distance(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_tX"//C_NULL_CHAR, DBLE(test_qmckl_dist))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_tX", DBLE(test_qmckl_dist))
+
   if (test_qmckl_dist == 0) return
 #endif
 
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_Tt"//C_NULL_CHAR, DBLE(test_qmckl_dist))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_Tt", DBLE(test_qmckl_dist))
+
   if (test_qmckl_dist == 0) return
-#endif
+
 
   test_qmckl_dist = QMCKL_FAILURE
 
@@ -839,12 +813,11 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
 
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_nT"//C_NULL_CHAR, DBLE(test_qmckl_dist))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_nT", DBLE(test_qmckl_dist))
+
   if (test_qmckl_dist == 0) return
-#endif
+
 
   test_qmckl_dist = QMCKL_FAILURE
 
@@ -861,12 +834,11 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
 
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_Tn"//C_NULL_CHAR, DBLE(test_qmckl_dist))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_Tn", DBLE(test_qmckl_dist))
+
   if (test_qmckl_dist == 0) return
-#endif
+
 
   test_qmckl_dist = QMCKL_FAILURE
 
@@ -883,12 +855,11 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
 
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
-#ifdef VFC_CI
-  vfc_err = vfc_probe(probes, "distance"//C_NULL_CHAR, &
-    "distance_nN"//C_NULL_CHAR, DBLE(test_qmckl_dist))
-#else
+
+  vfc_err = qmckl_probe("distance", "distance_nN", DBLE(test_qmckl_dist))
+
   if (test_qmckl_dist == 0) return
-#endif
+
 
   test_qmckl_dist = QMCKL_FAILURE
 
@@ -910,13 +881,8 @@ end function test_qmckl_dist
     #+end_src
 
     #+begin_src c :comments link :tangle (eval c_test)
-#ifdef VFC_CI
-    qmckl_exit_code test_qmckl_dist(qmckl_context context, vfc_probes * probes);
-    assert(test_qmckl_dist(context, &probes) == QMCKL_SUCCESS);
-#else
     qmckl_exit_code test_qmckl_dist(qmckl_context context);
     assert(test_qmckl_dist(context) == QMCKL_SUCCESS);
-#endif
     #+end_src
 
 * Rescaled Distance
@@ -1577,11 +1543,8 @@ end function qmckl_distance_rescaled_deriv_e_f
 * End of files                                                     :noexport:
 
    #+begin_src c :comments link :tangle (eval c_test)
-  assert (qmckl_context_destroy(context) == QMCKL_SUCCESS);
 
-#ifdef VFC_CI
-  vfc_dump_probes(&probes);
-#endif
+  assert (qmckl_context_destroy(context) == QMCKL_SUCCESS);
 
   return 0;
 }
diff --git a/tools/qmckl_probes.c b/tools/qmckl_probes.c
new file mode 100644
index 0000000..49f9327
--- /dev/null
+++ b/tools/qmckl_probes.c
@@ -0,0 +1,105 @@
+#include 
+#include 
+
+#ifdef VFC_CI
+#include 
+vfc_probes probes;
+#endif
+
+
+// Wrappers to Verificarlo functions
+
+#ifdef VFC_CI
+void __attribute__((constructor)) qmckl_init_probes(){
+	probes = vfc_init_probes();
+}
+#endif
+
+
+bool qmckl_probe(
+    char * testName,
+    char * varName,
+    double value
+) {
+#ifdef VFC_CI
+    return vfc_probe(&probes, testName, varName, value);
+#else
+	return false;
+#endif
+}
+
+
+bool qmckl_probe_check(
+    char * testName,
+    char * varName,
+    double value,
+    double expectedValue,
+    double accuracyTarget
+) {
+#ifdef VFC_CI
+    return vfc_probe_check(&probes, testName, varName, value, accuracyTarget);
+#else
+    return !(value == expectedValue);
+#endif
+}
+
+
+bool qmckl_probe_check_relative (
+    char * testName,
+    char * varName,
+    double value,
+    double expectedValue,
+    double accuracyTarget
+) {
+#ifdef VFC_CI
+    return vfc_probe_check_relative(&probes, testName, varName, value, accuracyTarget);
+#else
+    return !(value <= expectedValue + accuracyTarget || value >= expectedValue - accuracyTarget);
+#endif
+}
+
+
+void __attribute__((destructor)) qmckl_dump_probes(){
+#ifdef VFC_CI
+    vfc_dump_probes(&probes);
+#endif
+}
+
+
+// Fortran wrappers
+
+bool qmckl_probe_f(
+    char * testName,
+    char * varName,
+    double * value
+) {
+    return qmckl_probe(testName, varName, *value);
+}
+
+
+bool qmckl_probe_check_f(
+    char * testName,
+    char * varName,
+    double * value,
+    double * expectedValue,
+    double * accuracyTarget
+) {
+    return qmckl_probe_check(
+        testName, varName,
+        *value, *expectedValue, *accuracyTarget
+    );
+}
+
+
+bool qmckl_probe_check_relative_f(
+    char * testName,
+    char * varName,
+    double * value,
+    double * expectedValue,
+    double * accuracyTarget
+) {
+    return qmckl_probe_check_relative(
+        testName, varName,
+        *value, *expectedValue, *accuracyTarget
+    );
+}
diff --git a/tools/qmckl_probes.h b/tools/qmckl_probes.h
new file mode 100644
index 0000000..b416832
--- /dev/null
+++ b/tools/qmckl_probes.h
@@ -0,0 +1,65 @@
+#include 
+
+
+#ifdef VFC_CI
+#include 
+extern vfc_probes * probes;
+#endif
+
+// Wrappers to Verificarlo functions
+
+#ifdef VFC_CI
+void qmckl_init_probes() __attribute__((constructor));
+#endif
+
+bool qmckl_probe(
+    char * testName,
+    char * varName,
+    double value
+);
+
+bool qmckl_probe_check(
+    char * testName,
+    char * varName,
+    double value,
+    double expectedValue,
+    double accuracyTarget
+);
+
+bool qmckl_probe_check_relative(
+    char * testName,
+    char * varName,
+    double value,
+    double expectedValue,
+    double accuracyTarget
+);
+
+#ifdef VFC_CI
+void qmckl_dump_probes() __attribute__((destructor));
+#endif
+
+
+// Fortran wrappers
+
+bool qmckl_probe_f(
+    char * testName,
+    char * varName,
+    double * value
+);
+
+bool qmckl_probe_check_f(
+    char * testName,
+    char * varName,
+    double * value,
+    double * expectedValue,
+    double * accuracyTarget
+);
+
+
+bool qmckl_probe_check_relative_f(
+    char * testName,
+    char * varName,
+    double * value,
+    double * expectedValue,
+    double * accuracyTarget
+);
diff --git a/tools/qmckl_probes_f.f90 b/tools/qmckl_probes_f.f90
new file mode 100644
index 0000000..700f961
--- /dev/null
+++ b/tools/qmckl_probes_f.f90
@@ -0,0 +1,49 @@
+module qmckl_probes_f
+    interface
+        logical(c_bool) function qmckl_probe &
+             (testName, varName, val) &
+             bind(C, name="qmckl_probe_f")
+
+            use, intrinsic :: iso_c_binding
+            import
+            implicit none
+
+            character(C_CHAR), dimension(*) :: testName
+            character(C_CHAR), dimension(*) :: varName
+
+            real(C_DOUBLE) :: val
+        end function qmckl_probe
+
+        logical(c_bool) function qmckl_probe_check &
+             (testName, varName, val, expectedValue, accuracyTarget) &
+             bind(C, name="qmckl_probe_check_f")
+
+            use, intrinsic :: iso_c_binding
+            import
+            implicit none
+
+            character(C_CHAR), dimension(*) :: testName
+            character(C_CHAR), dimension(*) :: varName
+
+            real(C_DOUBLE) :: val
+            real(C_DOUBLE) :: expectedValue
+            real(C_DOUBLE) :: accuracyTarget
+        end function qmckl_probe_check
+
+        logical(c_bool) function qmckl_probe_check_relative &
+             (testName, varName, val, expectedValue, accuracyTarget) &
+             bind(C, name="qmckl_probe_check_relative_f")
+
+            use, intrinsic :: iso_c_binding
+            import
+            implicit none
+
+            character(C_CHAR), dimension(*) :: testName
+            character(C_CHAR), dimension(*) :: varName
+
+            real(C_DOUBLE) :: val
+            real(C_DOUBLE) :: expectedValue
+            real(C_DOUBLE) :: accuracyTarget
+        end function qmckl_probe_check_relative
+    end interface
+end module qmckl_probes_f
diff --git a/vfc_tests_config.json b/vfc_tests_config.json
new file mode 100644
index 0000000..e305151
--- /dev/null
+++ b/vfc_tests_config.json
@@ -0,0 +1,19 @@
+{
+    "make_command": "./ci_install.sh",
+    "executables": [
+        {
+            "executable": "tests/test_qmckl_distance",
+            "vfc_backends": [{
+                "name": "libinterflop_mca.so",
+                "repetitions": 25
+            }]
+        },
+        {
+            "executable": "tests/test_qmckl_ao",
+            "vfc_backends": [{
+                "name": "libinterflop_mca.so",
+                "repetitions": 25
+            }]
+        }
+    ]
+}

From cbf1bd8de8383222dbefe5ff07a21ef0e98244f6 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Fri, 23 Jul 2021 12:28:27 +0200
Subject: [PATCH 03/34] Fix replace error in AO

---
 org/qmckl_ao.org | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index ee12d98..160abd2 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1,4 +1,4 @@
-qmckl_probe(#+TITLE: Atomic Orbitals
+#+TITLE: Atomic Orbitals
 #+SETUPFILE: ../tools/theme.setup
 #+INCLUDE: ../tools/lib.org
 

From ce2488597958fea093b3d0d2723ae2629a6c0fcb Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Fri, 23 Jul 2021 15:19:12 +0200
Subject: [PATCH 04/34] Correct tests and put C(2,2) in distance probes

Since we don't need to place probs on all matrices, a simple solution
seems to monitor one element of the matrix. A solution could be to
compute a matrix norm / residual but this would make the tests more
complex.
---
 org/qmckl_ao.org       | 49 +-----------------------------------------
 org/qmckl_distance.org | 45 +++++++++++---------------------------
 2 files changed, 14 insertions(+), 80 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 160abd2..3c76163 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -65,10 +65,6 @@ gradients and Laplacian of the atomic basis functions.
 int main() {
     qmckl_context context;
     context = qmckl_context_create();
-
-    #ifdef VFC_CI
-        vfc_probes probes = vfc_init_probes();
-    #endif
   #+end_src
 
   #+begin_src c :tangle (eval c)
@@ -1742,11 +1738,8 @@ end function qmckl_ao_gaussian_vgl
 
    # Test
    #+begin_src f90 :tangle (eval f_test)
-#ifdef VFC_CI
-integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context, probes) bind(C)
-#else
 integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
-#endif
+
   use qmckl
   use qmckl_probes_f
 
@@ -1755,11 +1748,6 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
   integer(c_int64_t), intent(in), value :: context
   logical(C_BOOL) :: vfc_err
 
-#ifdef VFC_CI
-  type(vfc_probes) :: probes
-  integer(C_INT) :: vfc_err
-#endif
-
   integer*8                     :: n, ldv, j, i
   double precision              :: X(3), R(3), Y(3), r2
   double precision, allocatable :: VGL(:,:), A(:)
@@ -1788,7 +1776,6 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
     DBLE(test_qmckl_ao_gaussian_vgl))
 
   if (test_qmckl_ao_gaussian_vgl /= 0) return
-#endif
 
   test_qmckl_ao_gaussian_vgl = -1
 
@@ -1828,13 +1815,8 @@ end function test_qmckl_ao_gaussian_vgl
    #+end_src
 
    #+begin_src c :tangle (eval c_test) :exports none
-#ifdef VFC_CI
-  int test_qmckl_ao_gaussian_vgl(qmckl_context context, vfc_probes * probes);
-  assert(0 == test_qmckl_ao_gaussian_vgl(context, &probes));
-#else
     int test_qmckl_ao_gaussian_vgl(qmckl_context context);
     assert(0 == test_qmckl_ao_gaussian_vgl(context));
-#endif
    #+end_src
 
 ** TODO General functions for Slater basis functions
@@ -2821,9 +2803,6 @@ end function qmckl_ao_power_f
 *** Test
 
     #+begin_src f90 :tangle (eval f_test)
-#ifdef VFC_CI
-integer(c_int32_t) function test_qmckl_ao_power(context, probes) bind(C)
-#else
 integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   use qmckl
@@ -2833,7 +2812,6 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   logical(C_BOOL) :: vfc_err
 
-
   integer(qmckl_context), intent(in), value :: context
 
   integer*8                     :: n, LDP
@@ -2860,7 +2838,6 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
     DBLE(test_qmckl_ao_power))
 
   if (test_qmckl_ao_power /= QMCKL_SUCCESS) return
-#endif
 
   test_qmckl_ao_power = QMCKL_FAILURE
 
@@ -2880,13 +2857,8 @@ end function test_qmckl_ao_power
     #+end_src
 
     #+begin_src c :tangle (eval c_test) :exports none
-#ifdef VFC_CI
-    int  test_qmckl_ao_power(qmckl_context context, vfc_probes * probes);
-    assert(0 == test_qmckl_ao_power(context, &probes));
-#else
     int  test_qmckl_ao_power(qmckl_context context);
     assert(0 == test_qmckl_ao_power(context));
-#endif
     #+end_src
 
 ** General functions for Value, Gradient and Laplacian of a polynomial
@@ -3168,11 +3140,7 @@ end function qmckl_ao_polynomial_vgl_f
 *** Test
 
     #+begin_src f90 :tangle (eval f_test)
-#ifdef VFC_CI
-integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context, probes) bind(C)
-#else
 integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
-#endif
   use qmckl
   use qmckl_probes_f
 
@@ -3181,11 +3149,6 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
   integer(c_int64_t), intent(in), value :: context
   logical(C_BOOL) :: vfc_err
 
-#ifdef VFC_CI
-  type(vfc_probes) :: probes
-  integer(C_INT) :: vfc_err
-#endif
-
   integer                       :: lmax, d, i
   integer, allocatable          :: L(:,:)
   integer*8                     :: n, ldl, ldv, j
@@ -3216,7 +3179,6 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
 
   if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
   if (n /= d) return
-#endif
 
 #ifdef VFC_CI
   do j=1,n
@@ -3278,13 +3240,8 @@ end function test_qmckl_ao_polynomial_vgl
     #+end_src
 
     #+begin_src c :tangle (eval c_test)
-#ifdef VFC_CI
-    int  test_qmckl_ao_polynomial_vgl(qmckl_context context, vfc_probes * probes);
-    assert(0 == test_qmckl_ao_polynomial_vgl(context, &probes));
-#else
     int  test_qmckl_ao_polynomial_vgl(qmckl_context context);
     assert(0 == test_qmckl_ao_polynomial_vgl(context));
-#endif
     #+end_src
 
 * Combining radial and polynomial parts
@@ -3801,10 +3758,6 @@ assert( fabs(ao_vgl[1][0][26][224] - ( -3.843864637762753e-09)) < 1.e-14 );
     rc = qmckl_context_destroy(context);
     assert (rc == QMCKL_SUCCESS);
 
-#ifdef VFC_CI
-    vfc_dump_probes(&probes);
-#endif
-
     return 0;
 }
   #+end_src
diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org
index 1af78f6..816364d 100644
--- a/org/qmckl_distance.org
+++ b/org/qmckl_distance.org
@@ -16,16 +16,10 @@ Functions for the computation of distances between particles.
 #ifdef HAVE_CONFIG_H
 #include "config.h"
 #endif
-#ifdef VFC_CI
-#include 
-#endif
 int main() {
   qmckl_context context;
   context = qmckl_context_create();
 
-#ifdef VFC_CI
-  vfc_probes probes = vfc_init_probes();
-#endif
 
   #+end_src
 
@@ -302,12 +296,6 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   integer(qmckl_context), intent(in), value :: context
   logical(C_BOOL) :: vfc_err
 
-
-#ifdef VFC_CI
-  type(vfc_probes) :: probes
-  integer(C_INT) :: vfc_err
-#endif
-
   double precision, allocatable :: A(:,:), B(:,:), C(:,:)
   integer*8                     :: m, n, LDA, LDB, LDC
   double precision              :: x
@@ -319,8 +307,6 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   LDB = n
   LDC = 5
 
-  print *, "Entering test 1"
-
   allocate( A(LDA,m), B(LDB,n), C(LDC,n) )
 
   do j=1,m
@@ -337,25 +323,22 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_Xt", DBLE(test_qmckl_distance_sq))
+  vfc_err = qmckl_probe("distance", "distance_sq_Xt", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
-#endif
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
 
 
-  vfc_err = qmckl_probe("distance", "distance_sq_tX", DBLE(test_qmckl_distance_sq))
-  
-  if (test_qmckl_distance_sq == 0) return
-#endif
+  vfc_err = qmckl_probe("distance", "distance_sq_tX", DBLE(C(2,2)))
 
+  if (test_qmckl_distance_sq == 0) return
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_Tt", DBLE(test_qmckl_distance_sq))
+  vfc_err = qmckl_probe("distance", "distance_sq_Tt", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -376,7 +359,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_nT", DBLE(test_qmckl_distance_sq))
+  vfc_err = qmckl_probe("distance", "distance_sq_nT", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -397,7 +380,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err =  qmckl_probe("distance", "distance_sq_Tn", DBLE(test_qmckl_distance_sq))
+  vfc_err =  qmckl_probe("distance", "distance_sq_Tn", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -418,7 +401,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_nN", DBLE(test_qmckl_distance_sq))
+  vfc_err = qmckl_probe("distance", "distance_sq_nN", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -777,23 +760,21 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Xt", DBLE(test_qmckl_dist))
+  vfc_err = qmckl_probe("distance", "distance_Xt", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
-#endif
 
   test_qmckl_dist = &
        qmckl_distance(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_tX", DBLE(test_qmckl_dist))
+  vfc_err = qmckl_probe("distance", "distance_tX", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
-#endif
 
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Tt", DBLE(test_qmckl_dist))
+  vfc_err = qmckl_probe("distance", "distance_Tt", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -814,7 +795,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_nT", DBLE(test_qmckl_dist))
+  vfc_err = qmckl_probe("distance", "distance_nT", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -835,7 +816,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Tn", DBLE(test_qmckl_dist))
+  vfc_err = qmckl_probe("distance", "distance_Tn", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -856,7 +837,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_nN", DBLE(test_qmckl_dist))
+  vfc_err = qmckl_probe("distance", "distance_nN", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 

From e44379080654beb1d0a56e45b27604130fa6ad38 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Sat, 24 Jul 2021 13:19:09 +0200
Subject: [PATCH 05/34] Place/rename new probes in both distance and AO tests

---
 org/qmckl_ao.org       | 37 +++++++++++++++++++++++++++++++------
 org/qmckl_distance.org | 24 ++++++++++++------------
 2 files changed, 43 insertions(+), 18 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 3c76163..f1edca1 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1772,8 +1772,21 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
   test_qmckl_ao_gaussian_vgl = &
        qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl"//C_NULL_CHAR, &
-    DBLE(test_qmckl_ao_gaussian_vgl))
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,1"//C_NULL_CHAR, &
+    DBLE(VGL(2,1)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,2"//C_NULL_CHAR, &
+    DBLE(VGL(2,2)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,3"//C_NULL_CHAR, &
+    DBLE(VGL(2,3)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,4"//C_NULL_CHAR, &
+    DBLE(VGL(2,4)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,5"//C_NULL_CHAR, &
+    DBLE(VGL(2,5)))
+
 
   if (test_qmckl_ao_gaussian_vgl /= 0) return
 
@@ -2834,8 +2847,8 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "power"//C_NULL_CHAR, &
-    DBLE(test_qmckl_ao_power))
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "power_2,2"//C_NULL_CHAR, &
+    DBLE(P(2,2)))
 
   if (test_qmckl_ao_power /= QMCKL_SUCCESS) return
 
@@ -3174,8 +3187,20 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
   test_qmckl_ao_polynomial_vgl = &
        qmckl_ao_polynomial_vgl(context, X, R, lmax, n, L, ldl, VGL, ldv)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl"//C_NULL_CHAR, &
-    DBLE(test_qmckl_ao_polynomial_vgl))
+  vfc_err = <("ao"//C_NULL_CHAR, "polynomial_vgl_1,2"//C_NULL_CHAR, &
+    DBLE(VGL(1,2)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_2,2"//C_NULL_CHAR, &
+    DBLE(VGL(2,2)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_3,2"//C_NULL_CHAR, &
+    DBLE(VGL(3,2)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_4,2"//C_NULL_CHAR, &
+    DBLE(VGL(4,2)))
+
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_5,2"//C_NULL_CHAR, &
+    DBLE(VGL(5,2)))
 
   if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
   if (n /= d) return
diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org
index 816364d..6ed9091 100644
--- a/org/qmckl_distance.org
+++ b/org/qmckl_distance.org
@@ -323,7 +323,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_Xt", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_sq_Xt_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -331,14 +331,14 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
        qmckl_distance_sq(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
 
 
-  vfc_err = qmckl_probe("distance", "distance_sq_tX", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_sq_tX_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_Tt", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_sq_Tt_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -359,7 +359,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_nT", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_sq_nT_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -380,7 +380,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err =  qmckl_probe("distance", "distance_sq_Tn", DBLE(C(2,2)))
+  vfc_err =  qmckl_probe("distance", "distance_sq_Tn_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -401,7 +401,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_nN", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_sq_nN_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -760,21 +760,21 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Xt", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_Xt_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
   test_qmckl_dist = &
        qmckl_distance(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_tX", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_tX_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Tt", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_Tt_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -795,7 +795,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_nT", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_nT_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -816,7 +816,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Tn", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_Tn_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -837,7 +837,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_nN", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance", "distance_nN_2,2", DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 

From 66a35e2fc04a476da68da19f11e5c98656c9fe12 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Sun, 25 Jul 2021 15:36:14 +0200
Subject: [PATCH 06/34] Fix Makefile.am and change probes name

---
 Makefile.am            | 35 +++++++++++++----------------------
 org/qmckl_ao.org       | 22 +++++++++++-----------
 org/qmckl_distance.org | 27 ++++++++++++++-------------
 3 files changed, 38 insertions(+), 46 deletions(-)

diff --git a/Makefile.am b/Makefile.am
index eada72e..82502cd 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -31,11 +31,6 @@
 # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 
 
-if VFC_CI
-AM_LDFLAGS=-lvfc_probes -lvfc_probes_f
-endif
-
-
 ACLOCAL_AMFLAGS = -I m4
 
 VERSION_MAJOR   = @VERSION_MAJOR@
@@ -58,6 +53,8 @@ test_qmckl_fo = tests/qmckl_f.o
 src_qmckl_f   = src/qmckl_f.f90
 src_qmckl_fo  = src/qmckl_f.o
 header_tests  = tests/chbrclf.h tests/n2.h
+qmckl_probes_src = src/qmckl_probes.h src/qmckl_probes.c src/qmckl_probes_f.f90
+
 
 fortrandir = $(datadir)/$(PACKAGE_NAME)/fortran/
 dist_fortran_DATA = $(qmckl_f)
@@ -65,7 +62,7 @@ dist_fortran_DATA = $(qmckl_f)
 AM_CPPFLAGS = -I$(srcdir)/src -I$(srcdir)/include
 
 lib_LTLIBRARIES = src/libqmckl.la
-src_libqmckl_la_SOURCES = $(qmckl_h) $(src_qmckl_f) $(C_FILES) $(F_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES) $(header_tests)
+src_libqmckl_la_SOURCES = $(qmckl_h) $(src_qmckl_f) $(C_FILES) $(F_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES) $(header_tests) $(qmckl_probes_src)
 
 export qmckl_f qmckl_h srcdir
 
@@ -96,6 +93,14 @@ $(src_qmckl_fo): $(src_qmckl_f)
 $(src_qmckl_f): $(srcdir)/$(qmckl_f)
 	cp $(srcdir)/$(qmckl_f) $(src_qmckl_f)
 
+src/qmckl_probes.c: $(srcdir)/tools/qmckl_probes.c
+	cp $(srcdir)/tools/qmckl_probes.c $(srcdir)/src/qmckl_probes.c
+
+src/qmckl_probes.h: $(srcdir)/tools/qmckl_probes.h
+	cp $(srcdir)/tools/qmckl_probes.h $(srcdir)/src/qmckl_probes.h
+
+src/qmckl_probes_f.f90:
+	cp $(srcdir)/tools/qmckl_probes_f.f90 $(srcdir)/src/qmckl_probes_f.f90
 
 share/doc/qmckl/html/index.html: share/doc/qmckl/html/README.html
 	$(ln_s_verbose)cd share/doc/qmckl/html/ && \
@@ -115,14 +120,13 @@ dist_src_DATA = $(ORG_FILES) $(TANGLED_FILES) $(EXPORTED_FILES)
 
 BUILT_SOURCES = $(C_FILES) $(F_FILES) $(FH_FUNC_FILES) $(FH_TYPE_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES) $(qmckl_f) $(qmckl_h) $(header_tests)
 
-CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) $(TANGLED_FILES) $(C_TEST_FILES) $(F_TEST_FILES) $(qmckl_f) $(qmckl_h) $(HTML_FILES) $(TEXT_FILES) share/doc/qmckl/html/index.html $(EXPORTED_FILES) $(header_tests) $(qmckl_probes_src) $(qmckl_probes_o) qmckl_probes_f.mod
+CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) $(TANGLED_FILES) $(C_TEST_FILES) $(F_TEST_FILES) $(qmckl_f) $(qmckl_h) $(HTML_FILES) $(TEXT_FILES) share/doc/qmckl/html/index.html $(EXPORTED_FILES) $(header_tests) qmckl_probes_f.mod
 
 EXTRA_DIST +=                 \
     tools/build_doc.sh        \
     tools/build_makefile.py   \
     tools/build_qmckl_f.sh    \
     tools/build_qmckl_h.sh    \
-    tools/build_qmckl_probes.sh\
     tools/config_doc.el       \
     tools/config_tangle.el    \
     tools/init.el             \
@@ -151,27 +155,14 @@ cat_h_verbose_0 = @echo "  HEADER   $@";
 ## Rules
 ## =====
 
-qmckl_probes_src = src/qmckl_probes.h qmckl_probes.c qmckl_probes_f.f90
-qmckl_probes_o = src/qmckl_probes.o qmckl_probes_f.o
-
 SUFFIXES = .f90 .h .org .c _f.f90 _func.h _type.h _private_func.h _private_type.h
-src_libqmckl_la_SOURCES += src/qmckl_probes.h src/qmckl_probes.c src/qmckl_probes_f.f90
 
 $(qmckl_h): $(H_FUNC_FILES) $(H_TYPE_FILES)
+	$(cat_h_verbose)$(srcdir)/tools/build_qmckl_h.sh
 
 $(qmckl_f): $(FH_FUNC_FILES) $(FH_TYPE_FILES)
 	$(cat_h_verbose)$(srcdir)/tools/build_qmckl_f.sh
 
-
-src/qmckl_probes.c: $(srcdir)/tools/qmckl_probes.c
-	cp $(srcdir)/tools/qmckl_probes.c $(srcdir)/src/qmckl_probes.c
-
-src/qmckl_probes.h: $(srcdir)/tools/qmckl_probes.h
-	cp $(srcdir)/tools/qmckl_probes.h $(srcdir)/src/qmckl_probes.h
-
-src/qmckl_probes_f.f90:
-	cp $(srcdir)/tools/qmckl_probes_f.f90 $(srcdir)/src/qmckl_probes_f.f90
-
 $(htmlize_el):
 	$(srcdir)/tools/install_htmlize.sh $(htmlize_el)
 
diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index f1edca1..596287d 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1772,19 +1772,19 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
   test_qmckl_ao_gaussian_vgl = &
        qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,1"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_1"//C_NULL_CHAR, &
     DBLE(VGL(2,1)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_2"//C_NULL_CHAR, &
     DBLE(VGL(2,2)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,3"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_3"//C_NULL_CHAR, &
     DBLE(VGL(2,3)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,4"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_4"//C_NULL_CHAR, &
     DBLE(VGL(2,4)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2,5"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
     DBLE(VGL(2,5)))
 
 
@@ -2847,7 +2847,7 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "power_2,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
     DBLE(P(2,2)))
 
   if (test_qmckl_ao_power /= QMCKL_SUCCESS) return
@@ -3187,19 +3187,19 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
   test_qmckl_ao_polynomial_vgl = &
        qmckl_ao_polynomial_vgl(context, X, R, lmax, n, L, ldl, VGL, ldv)
 
-  vfc_err = <("ao"//C_NULL_CHAR, "polynomial_vgl_1,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_1_2"//C_NULL_CHAR, &
     DBLE(VGL(1,2)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_2,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_2_2"//C_NULL_CHAR, &
     DBLE(VGL(2,2)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_3,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_3_2"//C_NULL_CHAR, &
     DBLE(VGL(3,2)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_4,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_4_2"//C_NULL_CHAR, &
     DBLE(VGL(4,2)))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_5,2"//C_NULL_CHAR, &
+  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_5_2"//C_NULL_CHAR, &
     DBLE(VGL(5,2)))
 
   if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org
index 6ed9091..72282f3 100644
--- a/org/qmckl_distance.org
+++ b/org/qmckl_distance.org
@@ -323,22 +323,23 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_Xt_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_Xt_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
+
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
 
-
-  vfc_err = qmckl_probe("distance", "distance_sq_tX_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_tX_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
+
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_Tt_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_Tt_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -359,7 +360,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_nT_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -380,7 +381,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err =  qmckl_probe("distance", "distance_sq_Tn_2,2", DBLE(C(2,2)))
+  vfc_err =  qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_Tn_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -401,7 +402,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_sq_nN_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -760,21 +761,21 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'X', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Xt_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_Xt_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
   test_qmckl_dist = &
        qmckl_distance(context, 't', 'X', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_tX_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_tX_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Tt_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_Tt_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -795,7 +796,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_nT_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -816,7 +817,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_Tn_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_Tn_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 
@@ -837,7 +838,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance", "distance_nN_2,2", DBLE(C(2,2)))
+  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
 
   if (test_qmckl_dist == 0) return
 

From 820ed0ec3416f827d26eb0a797a44914f44b5d40 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Mon, 26 Jul 2021 07:44:18 +0200
Subject: [PATCH 07/34] [auto] Set up Verificarlo CI on this branch

---
 .github/workflows/vfc_test_workflow.yml | 45 +++++++++++++++++++++++++
 1 file changed, 45 insertions(+)
 create mode 100644 .github/workflows/vfc_test_workflow.yml

diff --git a/.github/workflows/vfc_test_workflow.yml b/.github/workflows/vfc_test_workflow.yml
new file mode 100644
index 0000000..ab799d6
--- /dev/null
+++ b/.github/workflows/vfc_test_workflow.yml
@@ -0,0 +1,45 @@
+# This workflow will be executed when master is updated:
+# it will run the configured tests and upload the results on vfc_ci_master.
+
+name: "Verificarlo CI (master)"
+
+on:
+  # Triggers the workflow when master is updated
+  push:
+    branches: [ master ]
+
+  workflow_dispatch:
+
+
+jobs:
+  run_verificarlo_tests:
+    runs-on: ubuntu-latest
+    container: verificarlo/verificarlo
+
+    steps:
+      - uses: actions/checkout@v2
+        with:
+            fetch-depth: 0
+
+      - name: Run tests
+        run: vfc_ci test -g -r
+
+      - name: Commit test results
+        run: |
+          git_hash=$(git rev-parse --short "$GITHUB_SHA")
+
+          git config --local user.email "action@github.com"
+          git config --local user.name "GitHub Action"
+
+          git checkout vfc_ci_master
+          mkdir -p vfcruns
+          mv *.vfcrun.h5 vfcruns
+          git add vfcruns/*
+          git commit -m "[auto] New test results for commit ${git_hash}"
+          git push
+
+      - name: Upload raw results as artifacts
+        uses: actions/upload-artifact@v2
+        with:
+          name: ${{github.sha}}.vfcraw
+          path: ./*.vfcraw.h5
\ No newline at end of file

From 9714ab095e76a74daa4f40559f214f35a55d826e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Mon, 26 Jul 2021 08:12:48 +0200
Subject: [PATCH 08/34] Tentative to fix CI

- Create alias to python command
- Install emacs in workflow
---
 .github/workflows/vfc_test_workflow.yml | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/vfc_test_workflow.yml b/.github/workflows/vfc_test_workflow.yml
index ab799d6..4c1b29e 100644
--- a/.github/workflows/vfc_test_workflow.yml
+++ b/.github/workflows/vfc_test_workflow.yml
@@ -21,6 +21,11 @@ jobs:
         with:
             fetch-depth: 0
 
+      - name: Install dependencies
+        run: |
+          alias python='python3'
+          apt -y install emacs
+
       - name: Run tests
         run: vfc_ci test -g -r
 
@@ -42,4 +47,4 @@ jobs:
         uses: actions/upload-artifact@v2
         with:
           name: ${{github.sha}}.vfcraw
-          path: ./*.vfcraw.h5
\ No newline at end of file
+          path: ./*.vfcraw.h5

From f444dd7e75f7faaab4672c0b763ae0c0122c1ec5 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Mon, 26 Jul 2021 08:20:06 +0200
Subject: [PATCH 09/34] Run apt upgrade in CI workflow before emacs install

---
 .github/workflows/vfc_test_workflow.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/vfc_test_workflow.yml b/.github/workflows/vfc_test_workflow.yml
index 4c1b29e..5998f26 100644
--- a/.github/workflows/vfc_test_workflow.yml
+++ b/.github/workflows/vfc_test_workflow.yml
@@ -24,6 +24,7 @@ jobs:
       - name: Install dependencies
         run: |
           alias python='python3'
+          apt update
           apt -y install emacs
 
       - name: Run tests

From 424afc4fc7535ac8e8823eb2264a363346578a68 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Mon, 26 Jul 2021 08:26:15 +0200
Subject: [PATCH 10/34] Create symbolic link to /usr/lib/python3 instead of
 alias

---
 .github/workflows/vfc_test_workflow.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/vfc_test_workflow.yml b/.github/workflows/vfc_test_workflow.yml
index 5998f26..bf66347 100644
--- a/.github/workflows/vfc_test_workflow.yml
+++ b/.github/workflows/vfc_test_workflow.yml
@@ -23,7 +23,7 @@ jobs:
 
       - name: Install dependencies
         run: |
-          alias python='python3'
+          ln -s /usr/bin/python3 /usr/bin/python
           apt update
           apt -y install emacs
 

From 4c554ce5e45082b0d3117a0b9dbb599e4383eb25 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?=
 <32074290+PurplePachyderm@users.noreply.github.com>
Date: Mon, 26 Jul 2021 09:31:06 +0200
Subject: [PATCH 11/34] Delete config.h.in~

---
 include/config.h.in~ | 160 -------------------------------------------
 1 file changed, 160 deletions(-)
 delete mode 100644 include/config.h.in~

diff --git a/include/config.h.in~ b/include/config.h.in~
deleted file mode 100644
index 6d33cba..0000000
--- a/include/config.h.in~
+++ /dev/null
@@ -1,160 +0,0 @@
-/* include/config.h.in.  Generated from configure.ac by autoheader.  */
-
-/* Define to turn on debugging checks */
-#undef DEBUG
-
-/* Define when using the profiler tool */
-#undef ENABLE_PROF
-
-/* Define to 1 if your Fortran compiler doesn't accept -c and -o together. */
-#undef FC_NO_MINUS_C_MINUS_O
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_ASSERT_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_DLFCN_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_ERRNO_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_INTTYPES_H
-
-/* Define to 1 if you have the `efence' library (-lefence). */
-#undef HAVE_LIBEFENCE
-
-/* Define to 1 if you have the `m' library (-lm). */
-#undef HAVE_LIBM
-
-/* Define to 1 if you have the `pthread' library (-lpthread). */
-#undef HAVE_LIBPTHREAD
-
-/* Define to 1 if your system has a GNU libc compatible `malloc' function, and
-   to 0 otherwise. */
-#undef HAVE_MALLOC
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_MALLOC_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_MATH_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_MEMORY_H
-
-/* Define to 1 if you have the `memset' function. */
-#undef HAVE_MEMSET
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_PTHREAD_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_STDBOOL_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_STDINT_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_STDIO_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_STDLIB_H
-
-/* Define to 1 if you have the `strerror' function. */
-#undef HAVE_STRERROR
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_STRINGS_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_STRING_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_SYS_STAT_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_SYS_TYPES_H
-
-/* Define to 1 if you have the  header file. */
-#undef HAVE_UNISTD_H
-
-/* Define to 1 if the system has the type `_Bool'. */
-#undef HAVE__BOOL
-
-/* Define to the sub-directory where libtool stores uninstalled libraries. */
-#undef LT_OBJDIR
-
-/* Define to use debugging malloc/free */
-#undef MALLOC_TRACE
-
-/* Define to 1 if your C compiler doesn't accept -c and -o together. */
-#undef NO_MINUS_C_MINUS_O
-
-/* Name of package */
-#undef PACKAGE
-
-/* Define to the address where bug reports for this package should be sent. */
-#undef PACKAGE_BUGREPORT
-
-/* Define to the full name of this package. */
-#undef PACKAGE_NAME
-
-/* Define to the full name and version of this package. */
-#undef PACKAGE_STRING
-
-/* Define to the one symbol short name of this package. */
-#undef PACKAGE_TARNAME
-
-/* Define to the home page for this package. */
-#undef PACKAGE_URL
-
-/* Define to the version of this package. */
-#undef PACKAGE_VERSION
-
-/* major version */
-#undef QMCKL_VERSION_MAJOR
-
-/* minor version */
-#undef QMCKL_VERSION_MINOR
-
-/* patch version */
-#undef QMCKL_VERSION_PATCH
-
-/* Define to 1 if you have the ANSI C header files. */
-#undef STDC_HEADERS
-
-/* Version number of package */
-#undef VERSION
-
-/* Define for Solaris 2.5.1 so the uint32_t typedef from ,
-   , or  is not used. If the typedef were allowed, the
-   #define below would cause a syntax error. */
-#undef _UINT32_T
-
-/* Define for Solaris 2.5.1 so the uint64_t typedef from ,
-   , or  is not used. If the typedef were allowed, the
-   #define below would cause a syntax error. */
-#undef _UINT64_T
-
-/* Define to the type of a signed integer type of width exactly 32 bits if
-   such a type exists and the standard includes do not define it. */
-#undef int32_t
-
-/* Define to the type of a signed integer type of width exactly 64 bits if
-   such a type exists and the standard includes do not define it. */
-#undef int64_t
-
-/* Define to rpl_malloc if the replacement function should be used. */
-#undef malloc
-
-/* Define to `unsigned int' if  does not define. */
-#undef size_t
-
-/* Define to the type of an unsigned integer type of width exactly 32 bits if
-   such a type exists and the standard includes do not define it. */
-#undef uint32_t
-
-/* Define to the type of an unsigned integer type of width exactly 64 bits if
-   such a type exists and the standard includes do not define it. */
-#undef uint64_t

From 361caba90163e5745afa30c82dc4162bb12138af Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?=
 <32074290+PurplePachyderm@users.noreply.github.com>
Date: Mon, 26 Jul 2021 09:31:38 +0200
Subject: [PATCH 12/34] Delete htmlize.el

---
 share/doc/qmckl/html/htmlize.el | 1882 -------------------------------
 1 file changed, 1882 deletions(-)
 delete mode 100644 share/doc/qmckl/html/htmlize.el

diff --git a/share/doc/qmckl/html/htmlize.el b/share/doc/qmckl/html/htmlize.el
deleted file mode 100644
index f5c6d8a..0000000
--- a/share/doc/qmckl/html/htmlize.el
+++ /dev/null
@@ -1,1882 +0,0 @@
-;;; htmlize.el --- Convert buffer text and decorations to HTML. -*- lexical-binding: t -*-
-
-;; Copyright (C) 1997-2003,2005,2006,2009,2011,2012,2014,2017,2018 Hrvoje Niksic
-
-;; Author: Hrvoje Niksic 
-;; Homepage: https://github.com/hniksic/emacs-htmlize
-;; Keywords: hypermedia, extensions
-;; Version: 1.56
-
-;; This program is free software; you can redistribute it and/or modify
-;; it under the terms of the GNU General Public License as published by
-;; the Free Software Foundation; either version 2, or (at your option)
-;; any later version.
-
-;; This program is distributed in the hope that it will be useful,
-;; but WITHOUT ANY WARRANTY; without even the implied warranty of
-;; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-;; GNU General Public License for more details.
-
-;; You should have received a copy of the GNU General Public License
-;; along with this program; see the file COPYING.  If not, write to the
-;; Free Software Foundation, Inc., 59 Temple Place - Suite 330,
-;; Boston, MA 02111-1307, USA.
-
-;;; Commentary:
-
-;; This package converts the buffer text and the associated
-;; decorations to HTML.  Mail to  to discuss
-;; features and additions.  All suggestions are more than welcome.
-
-;; To use it, just switch to the buffer you want HTML-ized and type
-;; `M-x htmlize-buffer'.  You will be switched to a new buffer that
-;; contains the resulting HTML code.  You can edit and inspect this
-;; buffer, or you can just save it with C-x C-w.  `M-x htmlize-file'
-;; will find a file, fontify it, and save the HTML version in
-;; FILE.html, without any additional intervention.  `M-x
-;; htmlize-many-files' allows you to htmlize any number of files in
-;; the same manner.  `M-x htmlize-many-files-dired' does the same for
-;; files marked in a dired buffer.
-
-;; htmlize supports three types of HTML output, selected by setting
-;; `htmlize-output-type': `css', `inline-css', and `font'.  In `css'
-;; mode, htmlize uses cascading style sheets to specify colors; it
-;; generates classes that correspond to Emacs faces and uses ... to color parts of text.  In this mode, the
-;; produced HTML is valid under the 4.01 strict DTD, as confirmed by
-;; the W3C validator.  `inline-css' is like `css', except the CSS is
-;; put directly in the STYLE attribute of the SPAN element, making it
-;; possible to paste the generated HTML into existing HTML documents.
-;; In `font' mode, htmlize uses ... to
-;; colorize HTML, which is not standard-compliant, but works better in
-;; older browsers.  `css' mode is the default.
-
-;; You can also use htmlize from your Emacs Lisp code.  When called
-;; non-interactively, `htmlize-buffer' and `htmlize-region' will
-;; return the resulting HTML buffer, but will not change current
-;; buffer or move the point.  htmlize will do its best to work on
-;; non-windowing Emacs sessions but the result will be limited to
-;; colors supported by the terminal.
-
-;; htmlize aims for compatibility with older Emacs versions.  Please
-;; let me know if it doesn't work on the version of GNU Emacs that you
-;; are using.  The package relies on the presence of CL extensions;
-;; please don't try to remove that dependency.  I see no practical
-;; problems with using the full power of the CL extensions, except
-;; that one might learn to like them too much.
-
-;; The latest version is available at:
-;;
-;;        
-;;        
-;;
-
-;; Thanks go to the many people who have sent reports and contributed
-;; comments, suggestions, and fixes.  They include Ron Gut, Bob
-;; Weiner, Toni Drabik, Peter Breton, Ville Skytta, Thomas Vogels,
-;; Juri Linkov, Maciek Pasternacki, and many others.
-
-;; User quotes: "You sir, are a sick, sick, _sick_ person. :)"
-;;                  -- Bill Perry, author of Emacs/W3
-
-
-;;; Code:
-
-(require 'cl-lib)
-(eval-when-compile
-  (defvar font-lock-auto-fontify)
-  (defvar font-lock-support-mode)
-  (defvar global-font-lock-mode))
-
-(defconst htmlize-version "1.56")
-
-(defgroup htmlize nil
-  "Convert buffer text and faces to HTML."
-  :group 'hypermedia)
-
-(defcustom htmlize-head-tags ""
-  "Additional tags to insert within HEAD of the generated document."
-  :type 'string
-  :group 'htmlize)
-
-(defcustom htmlize-output-type 'css
-  "Output type of generated HTML, one of `css', `inline-css', or `font'.
-When set to `css' (the default), htmlize will generate a style sheet
-with description of faces, and use it in the HTML document, specifying
-the faces in the actual text with .
-
-When set to `inline-css', the style will be generated as above, but
-placed directly in the STYLE attribute of the span ELEMENT: .  This makes it easier to paste the resulting HTML to
-other documents.
-
-When set to `font', the properties will be set using layout tags
-, , , , and .
-
-`css' output is normally preferred, but `font' is still useful for
-supporting old, pre-CSS browsers, and both `inline-css' and `font' for
-easier embedding of colorized text in foreign HTML documents (no style
-sheet to carry around)."
-  :type '(choice (const css) (const inline-css) (const font))
-  :group 'htmlize)
-
-(defcustom htmlize-use-images t
-  "Whether htmlize generates `img' for images attached to buffer contents."
-  :type 'boolean
-  :group 'htmlize)
-
-(defcustom htmlize-force-inline-images nil
-  "Non-nil means generate all images inline using data URLs.
-Normally htmlize converts image descriptors with :file properties to
-relative URIs, and those with :data properties to data URIs.  With this
-flag set, the images specified as a file name are loaded into memory and
-embedded in the HTML as data URIs."
-  :type 'boolean
-  :group 'htmlize)
-
-(defcustom htmlize-max-alt-text 100
-  "Maximum size of text to use as ALT text in images.
-
-Normally when htmlize encounters text covered by the `display' property
-that specifies an image, it generates an `alt' attribute containing the
-original text.  If the text is larger than `htmlize-max-alt-text' characters,
-this will not be done."
-  :type 'integer
-  :group 'htmlize)
-
-(defcustom htmlize-transform-image 'htmlize-default-transform-image
-  "Function called to modify the image descriptor.
-
-The function is called with the image descriptor found in the buffer and
-the text the image is supposed to replace.  It should return a (possibly
-different) image descriptor property list or a replacement string to use
-instead of of the original buffer text.
-
-Returning nil is the same as returning the original text."
-  :type 'boolean
-  :group 'htmlize)
-
-(defcustom htmlize-generate-hyperlinks t
-  "Non-nil means auto-generate the links from URLs and mail addresses in buffer.
-
-This is on by default; set it to nil if you don't want htmlize to
-autogenerate such links.  Note that this option only turns off automatic
-search for contents that looks like URLs and converting them to links.
-It has no effect on whether htmlize respects the `htmlize-link' property."
-  :type 'boolean
-  :group 'htmlize)
-
-(defcustom htmlize-hyperlink-style "
-      a {
-        color: inherit;
-        background-color: inherit;
-        font: inherit;
-        text-decoration: inherit;
-      }
-      a:hover {
-        text-decoration: underline;
-      }
-"
-  "The CSS style used for hyperlinks when in CSS mode."
-  :type 'string
-  :group 'htmlize)
-
-(defcustom htmlize-replace-form-feeds t
-  "Non-nil means replace form feeds in source code with HTML separators.
-Form feeds are the ^L characters at line beginnings that are sometimes
-used to separate sections of source code.  If this variable is set to
-`t', form feed characters are replaced with the 
 separator.  If this
-is a string, it specifies the replacement to use.  Note that 
 is
-temporarily closed before the separator is inserted, so the default
-replacement is effectively \"
\".  If you specify
-another replacement, don't forget to close and reopen the 
 if you
-want the output to remain valid HTML.
-
-If you need more elaborate processing, set this to nil and use
-htmlize-after-hook."
-  :type 'boolean
-  :group 'htmlize)
-
-(defcustom htmlize-html-charset nil
-  "The charset declared by the resulting HTML documents.
-When non-nil, causes htmlize to insert the following in the HEAD section
-of the generated HTML:
-
-  
-
-where CHARSET is the value you've set for htmlize-html-charset.  Valid
-charsets are defined by MIME and include strings like \"iso-8859-1\",
-\"iso-8859-15\", \"utf-8\", etc.
-
-If you are using non-Latin-1 charsets, you might need to set this for
-your documents to render correctly.  Also, the W3C validator requires
-submitted HTML documents to declare a charset.  So if you care about
-validation, you can use this to prevent the validator from bitching.
-
-Needless to say, if you set this, you should actually make sure that
-the buffer is in the encoding you're claiming it is in.  (This is
-normally achieved by using the correct file coding system for the
-buffer.)  If you don't understand what that means, you should probably
-leave this option in its default setting."
-  :type '(choice (const :tag "Unset" nil)
-		 string)
-  :group 'htmlize)
-
-(defcustom htmlize-convert-nonascii-to-entities t
-  "Whether non-ASCII characters should be converted to HTML entities.
-
-When this is non-nil, characters with codes in the 128-255 range will be
-considered Latin 1 and rewritten as \"&#CODE;\".  Characters with codes
-above 255 will be converted to \"&#UCS;\", where UCS denotes the Unicode
-code point of the character.  If the code point cannot be determined,
-the character will be copied unchanged, as would be the case if the
-option were nil.
-
-When the option is nil, the non-ASCII characters are copied to HTML
-without modification.  In that case, the web server and/or the browser
-must be set to understand the encoding that was used when saving the
-buffer.  (You might also want to specify it by setting
-`htmlize-html-charset'.)
-
-Note that in an HTML entity \"&#CODE;\", CODE is always a UCS code point,
-which has nothing to do with the charset the page is in.  For example,
-\"©\" *always* refers to the copyright symbol, regardless of charset
-specified by the META tag or the charset sent by the HTTP server.  In
-other words, \"©\" is exactly equivalent to \"©\".
-
-For most people htmlize will work fine with this option left at the
-default setting; don't change it unless you know what you're doing."
-  :type 'sexp
-  :group 'htmlize)
-
-(defcustom htmlize-ignore-face-size 'absolute
-  "Whether face size should be ignored when generating HTML.
-If this is nil, face sizes are used.  If set to t, sizes are ignored
-If set to `absolute', only absolute size specifications are ignored.
-Please note that font sizes only work with CSS-based output types."
-  :type '(choice (const :tag "Don't ignore" nil)
-		 (const :tag "Ignore all" t)
-		 (const :tag "Ignore absolute" absolute))
-  :group 'htmlize)
-
-(defcustom htmlize-css-name-prefix ""
-  "The prefix used for CSS names.
-The CSS names that htmlize generates from face names are often too
-generic for CSS files; for example, `font-lock-type-face' is transformed
-to `type'.  Use this variable to add a prefix to the generated names.
-The string \"htmlize-\" is an example of a reasonable prefix."
-  :type 'string
-  :group 'htmlize)
-
-(defcustom htmlize-use-rgb-txt t
-  "Whether `rgb.txt' should be used to convert color names to RGB.
-
-This conversion means determining, for instance, that the color
-\"IndianRed\" corresponds to the (205, 92, 92) RGB triple.  `rgb.txt'
-is the X color database that maps hundreds of color names to such RGB
-triples.  When this variable is non-nil, `htmlize' uses `rgb.txt' to
-look up color names.
-
-If this variable is nil, htmlize queries Emacs for RGB components of
-colors using `color-instance-rgb-components' and `color-values'.
-This can yield incorrect results on non-true-color displays.
-
-If the `rgb.txt' file is not found (which will be the case if you're
-running Emacs on non-X11 systems), this option is ignored."
-  :type 'boolean
-  :group 'htmlize)
-
-(defvar htmlize-face-overrides nil
-  "Overrides for face definitions.
-
-Normally face definitions are taken from Emacs settings for fonts
-in the current frame.  For faces present in this plist, the
-definitions will be used instead.  Keys in the plist are symbols
-naming the face and values are the overriding definitions.  For
-example:
-
-  (setq htmlize-face-overrides
-        '(font-lock-warning-face \"black\"
-          font-lock-function-name-face \"red\"
-          font-lock-comment-face \"blue\"
-          default (:foreground \"dark-green\" :background \"yellow\")))
-
-This variable can be also be `let' bound when running `htmlize-buffer'.")
-
-(defcustom htmlize-untabify t
-  "Non-nil means untabify buffer contents during htmlization."
-  :type 'boolean
-  :group 'htmlize)
-
-(defcustom htmlize-html-major-mode nil
-  "The mode the newly created HTML buffer will be put in.
-Set this to nil if you prefer the default (fundamental) mode."
-  :type '(radio (const :tag "No mode (fundamental)" nil)
-		 (function-item html-mode)
-		 (function :tag "User-defined major mode"))
-  :group 'htmlize)
-
-(defcustom htmlize-pre-style nil
-  "When non-nil, `
' tags will be decorated with style
-information in `font' and `inline-css' modes. This allows a
-consistent background for captures of regions."
-  :type 'boolean
-  :group 'htmlize)
-
-(defvar htmlize-before-hook nil
-  "Hook run before htmlizing a buffer.
-The hook functions are run in the source buffer (not the resulting HTML
-buffer).")
-
-(defvar htmlize-after-hook nil
-  "Hook run after htmlizing a buffer.
-Unlike `htmlize-before-hook', these functions are run in the generated
-HTML buffer.  You may use them to modify the outlook of the final HTML
-output.")
-
-(defvar htmlize-file-hook nil
-  "Hook run by `htmlize-file' after htmlizing a file, but before saving it.")
-
-(defvar htmlize-buffer-places)
-
-;;; Some cross-Emacs compatibility.
-
-;; We need a function that efficiently finds the next change of a
-;; property regardless of whether the change occurred because of a
-;; text property or an extent/overlay.
-(defun htmlize-next-change (pos prop &optional limit)
-  (if prop
-      (next-single-char-property-change pos prop nil limit)
-    (next-char-property-change pos limit)))
-
-(defun htmlize-overlay-faces-at (pos)
-  (delq nil (mapcar (lambda (o) (overlay-get o 'face)) (overlays-at pos))))
-
-(defun htmlize-next-face-change (pos &optional limit)
-  ;; (htmlize-next-change pos 'face limit) would skip over entire
-  ;; overlays that specify the `face' property, even when they
-  ;; contain smaller text properties that also specify `face'.
-  ;; Emacs display engine merges those faces, and so must we.
-  (or limit
-      (setq limit (point-max)))
-  (let ((next-prop (next-single-property-change pos 'face nil limit))
-        (overlay-faces (htmlize-overlay-faces-at pos)))
-    (while (progn
-             (setq pos (next-overlay-change pos))
-             (and (< pos next-prop)
-                  (equal overlay-faces (htmlize-overlay-faces-at pos)))))
-    (setq pos (min pos next-prop))
-    ;; Additionally, we include the entire region that specifies the
-    ;; `display' property.
-    (when (get-char-property pos 'display)
-      (setq pos (next-single-char-property-change pos 'display nil limit)))
-    pos))
-
-(defmacro htmlize-lexlet (&rest letforms)
-  (declare (indent 1) (debug let))
-  (if (and (boundp 'lexical-binding)
-           lexical-binding)
-      `(let ,@letforms)
-    ;; cl extensions have a macro implementing lexical let
-    `(lexical-let ,@letforms)))
-
-
-;;; Transformation of buffer text: HTML escapes, untabification, etc.
-
-(defvar htmlize-basic-character-table
-  ;; Map characters in the 0-127 range to either one-character strings
-  ;; or to numeric entities.
-  (let ((table (make-vector 128 ?\0)))
-    ;; Map characters in the 32-126 range to themselves, others to
-    ;; &#CODE entities;
-    (dotimes (i 128)
-      (setf (aref table i) (if (and (>= i 32) (<= i 126))
-			       (char-to-string i)
-			     (format "&#%d;" i))))
-    ;; Set exceptions manually.
-    (setf
-     ;; Don't escape newline, carriage return, and TAB.
-     (aref table ?\n) "\n"
-     (aref table ?\r) "\r"
-     (aref table ?\t) "\t"
-     ;; Escape &, <, and >.
-     (aref table ?&) "&"
-     (aref table ?<) "<"
-     (aref table ?>) ">"
-     ;; Not escaping '"' buys us a measurable speedup.  It's only
-     ;; necessary to quote it for strings used in attribute values,
-     ;; which htmlize doesn't typically do.
-     ;(aref table ?\") """
-     )
-    table))
-
-;; A cache of HTML representation of non-ASCII characters.  Depending
-;; on the setting of `htmlize-convert-nonascii-to-entities', this maps
-;; non-ASCII characters to either "&#;" or "" (mapconcat's
-;; mapper must always return strings).  It's only filled as characters
-;; are encountered, so that in a buffer with e.g. French text, it will
-;; only ever contain French accented characters as keys.  It's cleared
-;; on each entry to htmlize-buffer-1 to allow modifications of
-;; `htmlize-convert-nonascii-to-entities' to take effect.
-(defvar htmlize-extended-character-cache (make-hash-table :test 'eq))
-
-(defun htmlize-protect-string (string)
-  "HTML-protect string, escaping HTML metacharacters and I18N chars."
-  ;; Only protecting strings that actually contain unsafe or non-ASCII
-  ;; chars removes a lot of unnecessary funcalls and consing.
-  (if (not (string-match "[^\r\n\t -%'-;=?-~]" string))
-      string
-    (mapconcat (lambda (char)
-		 (cond
-		  ((< char 128)
-		   ;; ASCII: use htmlize-basic-character-table.
-		   (aref htmlize-basic-character-table char))
-		  ((gethash char htmlize-extended-character-cache)
-		   ;; We've already seen this char; return the cached
-		   ;; string.
-		   )
-		  ((not htmlize-convert-nonascii-to-entities)
-		   ;; If conversion to entities is not desired, always
-		   ;; copy the char literally.
-		   (setf (gethash char htmlize-extended-character-cache)
-			 (char-to-string char)))
-		  ((< char 256)
-		   ;; Latin 1: no need to call encode-char.
-		   (setf (gethash char htmlize-extended-character-cache)
-			 (format "&#%d;" char)))
-		  ((encode-char char 'ucs)
-                   ;; Must check if encode-char works for CHAR;
-                   ;; it fails for Arabic and possibly elsewhere.
-		   (setf (gethash char htmlize-extended-character-cache)
-			 (format "&#%d;" (encode-char char 'ucs))))
-		  (t
-		   ;; encode-char doesn't work for this char.  Copy it
-		   ;; unchanged and hope for the best.
-		   (setf (gethash char htmlize-extended-character-cache)
-			 (char-to-string char)))))
-	       string "")))
-
-(defun htmlize-attr-escape (string)
-  ;; Like htmlize-protect-string, but also escapes double-quoted
-  ;; strings to make it usable in attribute values.
-  (setq string (htmlize-protect-string string))
-  (if (not (string-match "\"" string))
-      string
-    (mapconcat (lambda (char)
-                 (if (eql char ?\")
-                     """
-                   (char-to-string char)))
-               string "")))
-
-(defsubst htmlize-concat (list)
-  (if (and (consp list) (null (cdr list)))
-      ;; Don't create a new string in the common case where the list only
-      ;; consists of one element.
-      (car list)
-    (apply #'concat list)))
-
-(defun htmlize-format-link (linkprops text)
-  (let ((uri (if (stringp linkprops)
-                 linkprops
-               (plist-get linkprops :uri)))
-        (escaped-text (htmlize-protect-string text)))
-    (if uri
-        (format "%s" (htmlize-attr-escape uri) escaped-text)
-      escaped-text)))
-
-(defun htmlize-escape-or-link (string)
-  ;; Escape STRING and/or add hyperlinks.  STRING comes from a
-  ;; `display' property.
-  (let ((pos 0) (end (length string)) outlist)
-    (while (< pos end)
-      (let* ((link (get-char-property pos 'htmlize-link string))
-             (next-link-change (next-single-property-change
-                                pos 'htmlize-link string end))
-             (chunk (substring string pos next-link-change)))
-        (push
-         (cond (link
-                (htmlize-format-link link chunk))
-               ((get-char-property 0 'htmlize-literal chunk)
-                chunk)
-               (t
-                (htmlize-protect-string chunk)))
-         outlist)
-        (setq pos next-link-change)))
-    (htmlize-concat (nreverse outlist))))
-
-(defun htmlize-display-prop-to-html (display text)
-  (let (desc)
-    (cond ((stringp display)
-           ;; Emacs ignores recursive display properties.
-           (htmlize-escape-or-link display))
-          ((not (eq (car-safe display) 'image))
-           (htmlize-protect-string text))
-          ((null (setq desc (funcall htmlize-transform-image
-                                     (cdr display) text)))
-           (htmlize-escape-or-link text))
-          ((stringp desc)
-           (htmlize-escape-or-link desc))
-          (t
-           (htmlize-generate-image desc text)))))
-
-(defun htmlize-string-to-html (string)
-  ;; Convert the string to HTML, including images attached as
-  ;; `display' property and links as `htmlize-link' property.  In a
-  ;; string without images or links, this is equivalent to
-  ;; `htmlize-protect-string'.
-  (let ((pos 0) (end (length string)) outlist)
-    (while (< pos end)
-      (let* ((display (get-char-property pos 'display string))
-             (next-display-change (next-single-property-change
-                                   pos 'display string end))
-             (chunk (substring string pos next-display-change)))
-        (push
-         (if display
-             (htmlize-display-prop-to-html display chunk)
-           (htmlize-escape-or-link chunk))
-         outlist)
-        (setq pos next-display-change)))
-    (htmlize-concat (nreverse outlist))))
-
-(defun htmlize-default-transform-image (imgprops _text)
-  "Default transformation of image descriptor to something usable in HTML.
-
-If `htmlize-use-images' is nil, the function always returns nil, meaning
-use original text.  Otherwise, it tries to find the image for images that
-specify a file name.  If `htmlize-force-inline-images' is non-nil, it also
-converts the :file attribute to :data and returns the modified property
-list."
-  (when htmlize-use-images
-    (when (plist-get imgprops :file)
-      (let ((location (plist-get (cdr (find-image (list imgprops))) :file)))
-        (when location
-          (setq imgprops (plist-put (cl-copy-list imgprops) :file location)))))
-    (if htmlize-force-inline-images
-        (let ((location (plist-get imgprops :file))
-              data)
-          (when location
-            (with-temp-buffer
-              (condition-case nil
-                  (progn
-                    (insert-file-contents-literally location)
-                    (setq data (buffer-string)))
-                (error nil))))
-          ;; if successful, return the new plist, otherwise return
-          ;; nil, which will use the original text
-          (and data
-               (plist-put (plist-put imgprops :file nil)
-                          :data data)))
-      imgprops)))
-
-(defun htmlize-alt-text (_imgprops origtext)
-  (and (/= (length origtext) 0)
-       (<= (length origtext) htmlize-max-alt-text)
-       (not (string-match "[\0-\x1f]" origtext))
-       origtext))
-
-(defun htmlize-generate-image (imgprops origtext)
-  (let* ((alt-text (htmlize-alt-text imgprops origtext))
-         (alt-attr (if alt-text
-                       (format " alt=\"%s\"" (htmlize-attr-escape alt-text))
-                     "")))
-    (cond ((plist-get imgprops :file)
-           ;; Try to find the image in image-load-path
-           (let* ((found-props (cdr (find-image (list imgprops))))
-                  (file (or (plist-get found-props :file)
-                            (plist-get imgprops :file))))
-             (format ""
-                     (htmlize-attr-escape (file-relative-name file))
-                     alt-attr)))
-          ((plist-get imgprops :data)
-           (format ""
-                   (or (plist-get imgprops :type) "")
-                   (base64-encode-string (plist-get imgprops :data))
-                   alt-attr)))))
-
-(defconst htmlize-ellipsis "...")
-(put-text-property 0 (length htmlize-ellipsis) 'htmlize-ellipsis t htmlize-ellipsis)
-
-(defun htmlize-match-inv-spec (inv)
-  (cl-member inv buffer-invisibility-spec
-             :key (lambda (i)
-                    (if (symbolp i) i (car i)))))
-
-(defun htmlize-decode-invisibility-spec (invisible)
-  ;; Return t, nil, or `ellipsis', depending on how invisible text should be inserted.
-
-  (if (not (listp buffer-invisibility-spec))
-      ;; If buffer-invisibility-spec is not a list, then all
-      ;; characters with non-nil `invisible' property are visible.
-      (not invisible)
-
-    ;; Otherwise, the value of a non-nil `invisible' property can be:
-    ;; 1. a symbol -- make the text invisible if it matches
-    ;;    buffer-invisibility-spec.
-    ;; 2. a list of symbols -- make the text invisible if
-    ;;    any symbol in the list matches
-    ;;    buffer-invisibility-spec.
-    ;; If the match of buffer-invisibility-spec has a non-nil
-    ;; CDR, replace the invisible text with an ellipsis.
-    (let ((match (if (symbolp invisible)
-                     (htmlize-match-inv-spec invisible)
-                   (cl-some #'htmlize-match-inv-spec invisible))))
-      (cond ((null match) t)
-            ((cdr-safe (car match)) 'ellipsis)
-            (t nil)))))
-
-(defun htmlize-add-before-after-strings (beg end text)
-  ;; Find overlays specifying before-string and after-string in [beg,
-  ;; pos).  If any are found, splice them into TEXT and return the new
-  ;; text.
-  (let (additions)
-    (dolist (overlay (overlays-in beg end))
-      (let ((before (overlay-get overlay 'before-string))
-            (after (overlay-get overlay 'after-string)))
-        (when after
-          (push (cons (- (overlay-end overlay) beg)
-                      after)
-                additions))
-        (when before
-          (push (cons (- (overlay-start overlay) beg)
-                      before)
-                additions))))
-    (if additions
-        (let ((textlist nil)
-              (strpos 0))
-          (dolist (add (cl-stable-sort additions #'< :key #'car))
-            (let ((addpos (car add))
-                  (addtext (cdr add)))
-              (push (substring text strpos addpos) textlist)
-              (push addtext textlist)
-              (setq strpos addpos)))
-          (push (substring text strpos) textlist)
-          (apply #'concat (nreverse textlist)))
-      text)))
-
-(defun htmlize-copy-prop (prop beg end string)
-  ;; Copy the specified property from the specified region of the
-  ;; buffer to the target string.  We cannot rely on Emacs to copy the
-  ;; property because we want to handle properties coming from both
-  ;; text properties and overlays.
-  (let ((pos beg))
-    (while (< pos end)
-      (let ((value (get-char-property pos prop))
-            (next-change (htmlize-next-change pos prop end)))
-        (when value
-          (put-text-property (- pos beg) (- next-change beg)
-                             prop value string))
-        (setq pos next-change)))))
-
-(defun htmlize-get-text-with-display (beg end)
-  ;; Like buffer-substring-no-properties, except it copies the
-  ;; `display' property from the buffer, if found.
-  (let ((text (buffer-substring-no-properties beg end)))
-    (htmlize-copy-prop 'display beg end text)
-    (htmlize-copy-prop 'htmlize-link beg end text)
-    (setq text (htmlize-add-before-after-strings beg end text))
-    text))
-
-(defun htmlize-buffer-substring-no-invisible (beg end)
-  ;; Like buffer-substring-no-properties, but don't copy invisible
-  ;; parts of the region.  Where buffer-substring-no-properties
-  ;; mandates an ellipsis to be shown, htmlize-ellipsis is inserted.
-  (let ((pos beg)
-	visible-list invisible show last-show next-change)
-    ;; Iterate over the changes in the `invisible' property and filter
-    ;; out the portions where it's non-nil, i.e. where the text is
-    ;; invisible.
-    (while (< pos end)
-      (setq invisible (get-char-property pos 'invisible)
-	    next-change (htmlize-next-change pos 'invisible end)
-            show (htmlize-decode-invisibility-spec invisible))
-      (cond ((eq show t)
-	     (push (htmlize-get-text-with-display pos next-change)
-                   visible-list))
-            ((and (eq show 'ellipsis)
-                  (not (eq last-show 'ellipsis))
-                  ;; Conflate successive ellipses.
-                  (push htmlize-ellipsis visible-list))))
-      (setq pos next-change last-show show))
-    (htmlize-concat (nreverse visible-list))))
-
-(defun htmlize-trim-ellipsis (text)
-  ;; Remove htmlize-ellipses ("...") from the beginning of TEXT if it
-  ;; starts with it.  It checks for the special property of the
-  ;; ellipsis so it doesn't work on ordinary text that begins with
-  ;; "...".
-  (if (get-text-property 0 'htmlize-ellipsis text)
-      (substring text (length htmlize-ellipsis))
-    text))
-
-(defconst htmlize-tab-spaces
-  ;; A table of strings with spaces.  (aref htmlize-tab-spaces 5) is
-  ;; like (make-string 5 ?\ ), except it doesn't cons.
-  (let ((v (make-vector 32 nil)))
-    (dotimes (i (length v))
-      (setf (aref v i) (make-string i ?\ )))
-    v))
-
-(defun htmlize-untabify-string (text start-column)
-  "Untabify TEXT, assuming it starts at START-COLUMN."
-  (let ((column start-column)
-	(last-match 0)
-	(chunk-start 0)
-	chunks match-pos tab-size)
-    (while (string-match "[\t\n]" text last-match)
-      (setq match-pos (match-beginning 0))
-      (cond ((eq (aref text match-pos) ?\t)
-	     ;; Encountered a tab: create a chunk of text followed by
-	     ;; the expanded tab.
-	     (push (substring text chunk-start match-pos) chunks)
-	     ;; Increase COLUMN by the length of the text we've
-	     ;; skipped since last tab or newline.  (Encountering
-	     ;; newline resets it.)
-	     (cl-incf column (- match-pos last-match))
-	     ;; Calculate tab size based on tab-width and COLUMN.
-	     (setq tab-size (- tab-width (% column tab-width)))
-	     ;; Expand the tab, carefully recreating the `display'
-	     ;; property if one was on the TAB.
-             (let ((display (get-text-property match-pos 'display text))
-                   (expanded-tab (aref htmlize-tab-spaces tab-size)))
-               (when display
-                 (put-text-property 0 tab-size 'display display expanded-tab))
-               (push expanded-tab chunks))
-	     (cl-incf column tab-size)
-	     (setq chunk-start (1+ match-pos)))
-	    (t
-	     ;; Reset COLUMN at beginning of line.
-	     (setq column 0)))
-      (setq last-match (1+ match-pos)))
-    ;; If no chunks have been allocated, it means there have been no
-    ;; tabs to expand.  Return TEXT unmodified.
-    (if (null chunks)
-	text
-      (when (< chunk-start (length text))
-	;; Push the remaining chunk.
-	(push (substring text chunk-start) chunks))
-      ;; Generate the output from the available chunks.
-      (htmlize-concat (nreverse chunks)))))
-
-(defun htmlize-extract-text (beg end trailing-ellipsis)
-  ;; Extract buffer text, sans the invisible parts.  Then
-  ;; untabify it and escape the HTML metacharacters.
-  (let ((text (htmlize-buffer-substring-no-invisible beg end)))
-    (when trailing-ellipsis
-      (setq text (htmlize-trim-ellipsis text)))
-    ;; If TEXT ends up empty, don't change trailing-ellipsis.
-    (when (> (length text) 0)
-      (setq trailing-ellipsis
-            (get-text-property (1- (length text))
-                               'htmlize-ellipsis text)))
-    (when htmlize-untabify
-      (setq text (htmlize-untabify-string text (current-column))))
-    (setq text (htmlize-string-to-html text))
-    (cl-values text trailing-ellipsis)))
-
-(defun htmlize-despam-address (string)
-  "Replace every occurrence of '@' in STRING with %40.
-This is used to protect mailto links without modifying their meaning."
-  ;; Suggested by Ville Skytta.
-  (while (string-match "@" string)
-    (setq string (replace-match "%40" nil t string)))
-  string)
-
-(defun htmlize-make-tmp-overlay (beg end props)
-  (let ((overlay (make-overlay beg end)))
-    (overlay-put overlay 'htmlize-tmp-overlay t)
-    (while props
-      (overlay-put overlay (pop props) (pop props)))
-    overlay))
-
-(defun htmlize-delete-tmp-overlays ()
-  (dolist (overlay (overlays-in (point-min) (point-max)))
-    (when (overlay-get overlay 'htmlize-tmp-overlay)
-      (delete-overlay overlay))))
-
-(defun htmlize-make-link-overlay (beg end uri)
-  (htmlize-make-tmp-overlay beg end `(htmlize-link (:uri ,uri))))
-
-(defun htmlize-create-auto-links ()
-  "Add `htmlize-link' property to all mailto links in the buffer."
-  (save-excursion
-    (goto-char (point-min))
-    (while (re-search-forward
-            "<\\(\\(mailto:\\)?\\([-=+_.a-zA-Z0-9]+@[-_.a-zA-Z0-9]+\\)\\)>"
-            nil t)
-      (let* ((address (match-string 3))
-             (beg (match-beginning 0)) (end (match-end 0))
-             (uri (concat "mailto:" (htmlize-despam-address address))))
-        (htmlize-make-link-overlay beg end uri)))
-    (goto-char (point-min))
-    (while (re-search-forward "<\\(\\(URL:\\)?\\([a-zA-Z]+://[^;]+\\)\\)>"
-                              nil t)
-      (htmlize-make-link-overlay
-       (match-beginning 0) (match-end 0) (match-string 3)))))
-
-;; Tests for htmlize-create-auto-links:
-
-;; 
-;; 
-;; 
-;; 
-;; 
-;; 
-
-(defun htmlize-shadow-form-feeds ()
-  (let ((s "\n
"))
-    (put-text-property 0 (length s) 'htmlize-literal t s)
-    (let ((disp `(display ,s)))
-      (while (re-search-forward "\n\^L" nil t)
-        (let* ((beg (match-beginning 0))
-               (end (match-end 0))
-               (form-feed-pos (1+ beg))
-               ;; don't process ^L if invisible or covered by `display'
-               (show (and (htmlize-decode-invisibility-spec
-                           (get-char-property form-feed-pos 'invisible))
-                          (not (get-char-property form-feed-pos 'display)))))
-          (when show
-            (htmlize-make-tmp-overlay beg end disp)))))))
-
-(defun htmlize-defang-local-variables ()
-  ;; Juri Linkov reports that an HTML-ized "Local variables" can lead
-  ;; visiting the HTML to fail with "Local variables list is not
-  ;; properly terminated".  He suggested changing the phrase to
-  ;; syntactically equivalent HTML that Emacs doesn't recognize.
-  (goto-char (point-min))
-  (while (search-forward "Local Variables:" nil t)
-    (replace-match "Local Variables:" nil t)))
-  
-
-;;; Color handling.
-
-(defvar htmlize-x-library-search-path
-  `(,data-directory
-    "/etc/X11/rgb.txt"
-    "/usr/share/X11/rgb.txt"
-    ;; the remainder of this list really belongs in a museum
-    "/usr/X11R6/lib/X11/"
-    "/usr/X11R5/lib/X11/"
-    "/usr/lib/X11R6/X11/"
-    "/usr/lib/X11R5/X11/"
-    "/usr/local/X11R6/lib/X11/"
-    "/usr/local/X11R5/lib/X11/"
-    "/usr/local/lib/X11R6/X11/"
-    "/usr/local/lib/X11R5/X11/"
-    "/usr/X11/lib/X11/"
-    "/usr/lib/X11/"
-    "/usr/local/lib/X11/"
-    "/usr/X386/lib/X11/"
-    "/usr/x386/lib/X11/"
-    "/usr/XFree86/lib/X11/"
-    "/usr/unsupported/lib/X11/"
-    "/usr/athena/lib/X11/"
-    "/usr/local/x11r5/lib/X11/"
-    "/usr/lpp/Xamples/lib/X11/"
-    "/usr/openwin/lib/X11/"
-    "/usr/openwin/share/lib/X11/"))
-
-(defun htmlize-get-color-rgb-hash (&optional rgb-file)
-  "Return a hash table mapping X color names to RGB values.
-The keys in the hash table are X11 color names, and the values are the
-#rrggbb RGB specifications, extracted from `rgb.txt'.
-
-If RGB-FILE is nil, the function will try hard to find a suitable file
-in the system directories.
-
-If no rgb.txt file is found, return nil."
-  (let ((rgb-file (or rgb-file (locate-file
-				"rgb.txt"
-				htmlize-x-library-search-path)))
-	(hash nil))
-    (when rgb-file
-      (with-temp-buffer
-	(insert-file-contents rgb-file)
-	(setq hash (make-hash-table :test 'equal))
-	(while (not (eobp))
-	  (cond ((looking-at "^\\s-*\\([!#]\\|$\\)")
-		 ;; Skip comments and empty lines.
-		 )
-		((looking-at
-		  "[ \t]*\\([0-9]+\\)[ \t]+\\([0-9]+\\)[ \t]+\\([0-9]+\\)[ \t]+\\(.*\\)")
-		 (setf (gethash (downcase (match-string 4)) hash)
-		       (format "#%02x%02x%02x"
-			       (string-to-number (match-string 1))
-			       (string-to-number (match-string 2))
-			       (string-to-number (match-string 3)))))
-		(t
-		 (error
-		  "Unrecognized line in %s: %s"
-		  rgb-file
-		  (buffer-substring (point) (progn (end-of-line) (point))))))
-	  (forward-line 1))))
-    hash))
-
-;; Compile the RGB map when loaded.  On systems where rgb.txt is
-;; missing, the value of the variable will be nil, and rgb.txt will
-;; not be used.
-(defvar htmlize-color-rgb-hash (htmlize-get-color-rgb-hash))
-
-;;; Face handling.
-
-(defun htmlize-face-color-internal (face fg)
-  ;; Used only under GNU Emacs.  Return the color of FACE, but don't
-  ;; return "unspecified-fg" or "unspecified-bg".  If the face is
-  ;; `default' and the color is unspecified, look up the color in
-  ;; frame parameters.
-  (let* ((function (if fg #'face-foreground #'face-background))
-	 (color (funcall function face nil t)))
-    (when (and (eq face 'default) (null color))
-      (setq color (cdr (assq (if fg 'foreground-color 'background-color)
-			     (frame-parameters)))))
-    (when (or (eq color 'unspecified)
-	      (equal color "unspecified-fg")
-	      (equal color "unspecified-bg"))
-      (setq color nil))
-    (when (and (eq face 'default)
-	       (null color))
-      ;; Assuming black on white doesn't seem right, but I can't think
-      ;; of anything better to do.
-      (setq color (if fg "black" "white")))
-    color))
-
-(defun htmlize-face-foreground (face)
-  ;; Return the name of the foreground color of FACE.  If FACE does
-  ;; not specify a foreground color, return nil.
-  (htmlize-face-color-internal face t))
-
-(defun htmlize-face-background (face)
-  ;; Return the name of the background color of FACE.  If FACE does
-  ;; not specify a background color, return nil.
-  ;; GNU Emacs.
-  (htmlize-face-color-internal face nil))
-
-;; Convert COLOR to the #RRGGBB string.  If COLOR is already in that
-;; format, it's left unchanged.
-
-(defun htmlize-color-to-rgb (color)
-  (let ((rgb-string nil))
-    (cond ((null color)
-	   ;; Ignore nil COLOR because it means that the face is not
-	   ;; specifying any color.  Hence (htmlize-color-to-rgb nil)
-	   ;; returns nil.
-	   )
-	  ((string-match "\\`#" color)
-	   ;; The color is already in #rrggbb format.
-	   (setq rgb-string color))
-	  ((and htmlize-use-rgb-txt
-		htmlize-color-rgb-hash)
-	   ;; Use of rgb.txt is requested, and it's available on the
-	   ;; system.  Use it.
-	   (setq rgb-string (gethash (downcase color) htmlize-color-rgb-hash)))
-	  (t
-	   ;; We're getting the RGB components from Emacs.
-	   (let ((rgb (mapcar (lambda (arg)
-                                (/ arg 256))
-                              (color-values color))))
-	     (when rgb
-	       (setq rgb-string (apply #'format "#%02x%02x%02x" rgb))))))
-    ;; If RGB-STRING is still nil, it means the color cannot be found,
-    ;; for whatever reason.  In that case just punt and return COLOR.
-    ;; Most browsers support a decent set of color names anyway.
-    (or rgb-string color)))
-
-;; We store the face properties we care about into an
-;; `htmlize-fstruct' type.  That way we only have to analyze face
-;; properties, which can be time consuming, once per each face.  The
-;; mapping between Emacs faces and htmlize-fstructs is established by
-;; htmlize-make-face-map.  The name "fstruct" refers to variables of
-;; type `htmlize-fstruct', while the term "face" is reserved for Emacs
-;; faces.
-
-(cl-defstruct htmlize-fstruct
-  foreground				; foreground color, #rrggbb
-  background				; background color, #rrggbb
-  size					; size
-  boldp					; whether face is bold
-  italicp				; whether face is italic
-  underlinep				; whether face is underlined
-  overlinep				; whether face is overlined
-  strikep				; whether face is struck through
-  css-name				; CSS name of face
-  )
-
-(defun htmlize-face-set-from-keyword-attr (fstruct attr value)
-  ;; For ATTR and VALUE, set the equivalent value in FSTRUCT.
-  (cl-case attr
-    (:foreground
-     (setf (htmlize-fstruct-foreground fstruct) (htmlize-color-to-rgb value)))
-    (:background
-     (setf (htmlize-fstruct-background fstruct) (htmlize-color-to-rgb value)))
-    (:height
-     (setf (htmlize-fstruct-size fstruct) value))
-    (:weight
-     (when (string-match (symbol-name value) "bold")
-       (setf (htmlize-fstruct-boldp fstruct) t)))
-    (:slant
-     (setf (htmlize-fstruct-italicp fstruct) (or (eq value 'italic)
-						 (eq value 'oblique))))
-    (:bold
-     (setf (htmlize-fstruct-boldp fstruct) value))
-    (:italic
-     (setf (htmlize-fstruct-italicp fstruct) value))
-    (:underline
-     (setf (htmlize-fstruct-underlinep fstruct) value))
-    (:overline
-     (setf (htmlize-fstruct-overlinep fstruct) value))
-    (:strike-through
-     (setf (htmlize-fstruct-strikep fstruct) value))))
-
-(defun htmlize-face-size (face)
-  ;; The size (height) of FACE, taking inheritance into account.
-  ;; Only works in Emacs 21 and later.
-  (let* ((face-list (list face))
-         (head face-list)
-         (tail face-list))
-    (while head
-      (let ((inherit (face-attribute (car head) :inherit)))
-        (cond ((listp inherit)
-               (setcdr tail (cl-copy-list inherit))
-               (setq tail (last tail)))
-              ((eq inherit 'unspecified))
-              (t
-               (setcdr tail (list inherit))
-               (setq tail (cdr tail)))))
-      (pop head))
-    (let ((size-list
-           (cl-loop
-            for f in face-list
-            for h = (face-attribute f :height)
-            collect (if (eq h 'unspecified) nil h))))
-      (cl-reduce 'htmlize-merge-size (cons nil size-list)))))
-
-(defun htmlize-face-css-name (face)
-  ;; Generate the css-name property for the given face.  Emacs places
-  ;; no restrictions on the names of symbols that represent faces --
-  ;; any characters may be in the name, even control chars.  We try
-  ;; hard to beat the face name into shape, both esthetically and
-  ;; according to CSS1 specs.
-  (let ((name (downcase (symbol-name face))))
-    (when (string-match "\\`font-lock-" name)
-      ;; font-lock-FOO-face -> FOO.
-      (setq name (replace-match "" t t name)))
-    (when (string-match "-face\\'" name)
-      ;; Drop the redundant "-face" suffix.
-      (setq name (replace-match "" t t name)))
-    (while (string-match "[^-a-zA-Z0-9]" name)
-      ;; Drop the non-alphanumerics.
-      (setq name (replace-match "X" t t name)))
-    (when (string-match "\\`[-0-9]" name)
-      ;; CSS identifiers may not start with a digit.
-      (setq name (concat "X" name)))
-    ;; After these transformations, the face could come out empty.
-    (when (equal name "")
-      (setq name "face"))
-    ;; Apply the prefix.
-    (concat htmlize-css-name-prefix name)))
-
-(defun htmlize-face-to-fstruct-1 (face)
-  "Convert Emacs face FACE to fstruct, internal."
-  (let ((fstruct (make-htmlize-fstruct
-		  :foreground (htmlize-color-to-rgb
-			       (htmlize-face-foreground face))
-		  :background (htmlize-color-to-rgb
-			       (htmlize-face-background face)))))
-    ;; GNU Emacs
-    (dolist (attr '(:weight :slant :underline :overline :strike-through))
-      (let ((value (face-attribute face attr nil t)))
-        (when (and value (not (eq value 'unspecified)))
-          (htmlize-face-set-from-keyword-attr fstruct attr value))))
-    (let ((size (htmlize-face-size face)))
-      (unless (eql size 1.0)            ; ignore non-spec
-        (setf (htmlize-fstruct-size fstruct) size)))
-    (setf (htmlize-fstruct-css-name fstruct) (htmlize-face-css-name face))
-    fstruct))
-
-(defun htmlize-face-to-fstruct (face)
-  (let* ((face-list (or (and (symbolp face)
-                             (cdr (assq face face-remapping-alist)))
-                        (list face)))
-         (fstruct (htmlize-merge-faces
-                   (mapcar (lambda (face)
-                             (if (symbolp face)
-                                 (or (htmlize-get-override-fstruct face)
-                                     (htmlize-face-to-fstruct-1 face))
-                               (htmlize-attrlist-to-fstruct face)))
-                           (nreverse face-list)))))
-    (when (symbolp face)
-      (setf (htmlize-fstruct-css-name fstruct) (htmlize-face-css-name face)))
-    fstruct))
-
-(defmacro htmlize-copy-attr-if-set (attr-list dest source)
-  ;; Generate code with the following pattern:
-  ;; (progn
-  ;;   (when (htmlize-fstruct-ATTR source)
-  ;;     (setf (htmlize-fstruct-ATTR dest) (htmlize-fstruct-ATTR source)))
-  ;;   ...)
-  ;; for the given list of boolean attributes.
-  (cons 'progn
-	(cl-loop for attr in attr-list
-	         for attr-sym = (intern (format "htmlize-fstruct-%s" attr))
-	         collect `(when (,attr-sym ,source)
-                            (setf (,attr-sym ,dest) (,attr-sym ,source))))))
-
-(defun htmlize-merge-size (merged next)
-  ;; Calculate the size of the merge of MERGED and NEXT.
-  (cond ((null merged)     next)
-	((integerp next)   next)
-	((null next)       merged)
-	((floatp merged)   (* merged next))
-	((integerp merged) (round (* merged next)))))
-
-(defun htmlize-merge-two-faces (merged next)
-  (htmlize-copy-attr-if-set
-   (foreground background boldp italicp underlinep overlinep strikep)
-   merged next)
-  (setf (htmlize-fstruct-size merged)
-	(htmlize-merge-size (htmlize-fstruct-size merged)
-			    (htmlize-fstruct-size next)))
-  merged)
-
-(defun htmlize-merge-faces (fstruct-list)
-  (cond ((null fstruct-list)
-	 ;; Nothing to do, return a dummy face.
-	 (make-htmlize-fstruct))
-	((null (cdr fstruct-list))
-	 ;; Optimize for the common case of a single face, simply
-	 ;; return it.
-	 (car fstruct-list))
-	(t
-	 (cl-reduce #'htmlize-merge-two-faces
-		    (cons (make-htmlize-fstruct) fstruct-list)))))
-
-;; GNU Emacs 20+ supports attribute lists in `face' properties.  For
-;; example, you can use `(:foreground "red" :weight bold)' as an
-;; overlay's "face", or you can even use a list of such lists, etc.
-;; We call those "attrlists".
-;;
-;; htmlize supports attrlist by converting them to fstructs, the same
-;; as with regular faces.
-
-(defun htmlize-attrlist-to-fstruct (attrlist &optional name)
-  ;; Like htmlize-face-to-fstruct, but accepts an ATTRLIST as input.
-  (let ((fstruct (make-htmlize-fstruct)))
-    (cond ((eq (car attrlist) 'foreground-color)
-	   ;; ATTRLIST is (foreground-color . COLOR)
-	   (setf (htmlize-fstruct-foreground fstruct)
-		 (htmlize-color-to-rgb (cdr attrlist))))
-	  ((eq (car attrlist) 'background-color)
-	   ;; ATTRLIST is (background-color . COLOR)
-	   (setf (htmlize-fstruct-background fstruct)
-		 (htmlize-color-to-rgb (cdr attrlist))))
-	  (t
-	   ;; ATTRLIST is a plist.
-	   (while attrlist
-	     (let ((attr (pop attrlist))
-		   (value (pop attrlist)))
-	       (when (and value (not (eq value 'unspecified)))
-		 (htmlize-face-set-from-keyword-attr fstruct attr value))))))
-    (setf (htmlize-fstruct-css-name fstruct) (or name "custom"))
-    fstruct))
-
-(defun htmlize-decode-face-prop (prop)
-  "Turn face property PROP into a list of face-like objects."
-  ;; PROP can be a symbol naming a face, a string naming such a
-  ;; symbol, a cons (foreground-color . COLOR) or (background-color
-  ;; COLOR), a property list (:attr1 val1 :attr2 val2 ...), or a list
-  ;; of any of those.
-  ;;
-  ;; (htmlize-decode-face-prop 'face) -> (face)
-  ;; (htmlize-decode-face-prop '(face1 face2)) -> (face1 face2)
-  ;; (htmlize-decode-face-prop '(:attr "val")) -> ((:attr "val"))
-  ;; (htmlize-decode-face-prop '((:attr "val") face (foreground-color "red")))
-  ;;   -> ((:attr "val") face (foreground-color "red"))
-  ;;
-  ;; Unrecognized atoms or non-face symbols/strings are silently
-  ;; stripped away.
-  (cond ((null prop)
-         nil)
-        ((symbolp prop)
-         (and (facep prop)
-              (list prop)))
-        ((stringp prop)
-         (and (facep (intern-soft prop))
-              (list prop)))
-        ((atom prop)
-         nil)
-        ((and (symbolp (car prop))
-              (eq ?: (aref (symbol-name (car prop)) 0)))
-         (list prop))
-        ((or (eq (car prop) 'foreground-color)
-             (eq (car prop) 'background-color))
-         (list prop))
-        (t
-         (apply #'nconc (mapcar #'htmlize-decode-face-prop prop)))))
-
-(defun htmlize-get-override-fstruct (face)
-  (let* ((raw-def (plist-get htmlize-face-overrides face))
-         (def (cond ((stringp raw-def) (list :foreground raw-def))
-                    ((listp raw-def) raw-def)
-                    (t
-                     (error (format (concat "face override must be an "
-                                            "attribute list or string, got %s")
-                                    raw-def))))))
-    (and def
-         (htmlize-attrlist-to-fstruct def (symbol-name face)))))
-
-(defun htmlize-make-face-map (faces)
-  ;; Return a hash table mapping Emacs faces to htmlize's fstructs.
-  ;; The keys are either face symbols or attrlists, so the test
-  ;; function must be `equal'.
-  (let ((face-map (make-hash-table :test 'equal))
-	css-names)
-    (dolist (face faces)
-      (unless (gethash face face-map)
-	;; Haven't seen FACE yet; convert it to an fstruct and cache
-	;; it.
-	(let ((fstruct (htmlize-face-to-fstruct face)))
-	  (setf (gethash face face-map) fstruct)
-	  (let* ((css-name (htmlize-fstruct-css-name fstruct))
-		 (new-name css-name)
-		 (i 0))
-	    ;; Uniquify the face's css-name by using NAME-1, NAME-2,
-	    ;; etc.
-	    (while (member new-name css-names)
-	      (setq new-name (format "%s-%s" css-name (cl-incf i))))
-	    (unless (equal new-name css-name)
-	      (setf (htmlize-fstruct-css-name fstruct) new-name))
-	    (push new-name css-names)))))
-    face-map))
-
-(defun htmlize-unstringify-face (face)
-  "If FACE is a string, return it interned, otherwise return it unchanged."
-  (if (stringp face)
-      (intern face)
-    face))
-
-(defun htmlize-faces-in-buffer ()
-  "Return a list of faces used in the current buffer.
-This is the set of faces specified by the `face' text property and by buffer
-overlays that specify `face'."
-  (let (faces)
-    ;; Faces used by text properties.
-    (let ((pos (point-min)) face-prop next)
-      (while (< pos (point-max))
-        (setq face-prop (get-text-property pos 'face)
-              next (or (next-single-property-change pos 'face) (point-max)))
-        (setq faces (cl-nunion (htmlize-decode-face-prop face-prop)
-                               faces :test 'equal))
-        (setq pos next)))
-    ;; Faces used by overlays.
-    (dolist (overlay (overlays-in (point-min) (point-max)))
-      (let ((face-prop (overlay-get overlay 'face)))
-        (setq faces (cl-nunion (htmlize-decode-face-prop face-prop)
-                               faces :test 'equal))))
-    faces))
-
-(if (>= emacs-major-version 25)
-    (defun htmlize-sorted-overlays-at (pos)
-      (overlays-at pos t))
-
-  (defun htmlize-sorted-overlays-at (pos)
-    ;; Like OVERLAYS-AT with the SORTED argument, for older Emacsen.
-    (let ((overlays (overlays-at pos)))
-      (setq overlays (cl-sort overlays #'<
-                              :key (lambda (o)
-                                     (- (overlay-end o) (overlay-start o)))))
-      (setq overlays
-            (cl-stable-sort overlays #'<
-                            :key (lambda (o)
-                                   (let ((prio (overlay-get o 'priority)))
-                                     (if (numberp prio) prio 0)))))
-      (nreverse overlays))))
-
-
-;; htmlize-faces-at-point returns the faces in use at point.  The
-;; faces are sorted by increasing priority, i.e. the last face takes
-;; precedence.
-;;
-;; This returns all the faces in the `face' property and all the faces
-;; in the overlays at point.
-
-(defun htmlize-faces-at-point ()
-  (let (all-faces)
-    ;; Faces from text properties.
-    (let ((face-prop (get-text-property (point) 'face)))
-      ;; we need to reverse the `face' prop because we want
-      ;; more specific faces to come later
-      (setq all-faces (nreverse (htmlize-decode-face-prop face-prop))))
-    ;; Faces from overlays.
-    (let ((overlays
-           ;; Collect overlays at point that specify `face'.
-           (cl-delete-if-not (lambda (o)
-                               (overlay-get o 'face))
-                             (nreverse (htmlize-sorted-overlays-at (point)))))
-          list face-prop)
-      (dolist (overlay overlays)
-        (setq face-prop (overlay-get overlay 'face)
-              list (nconc (htmlize-decode-face-prop face-prop) list)))
-      ;; Under "Merging Faces" the manual explicitly states
-      ;; that faces specified by overlays take precedence over
-      ;; faces specified by text properties.
-      (setq all-faces (nconc all-faces list)))
-    all-faces))
-
-;; htmlize supports generating HTML in several flavors, some of which
-;; use CSS, and others the  element.  We take an OO approach and
-;; define "methods" that indirect to the functions that depend on
-;; `htmlize-output-type'.  The currently used methods are `doctype',
-;; `insert-head', `body-tag', `pre-tag', and `text-markup'.  Not all
-;; output types define all methods.
-;;
-;; Methods are called either with (htmlize-method METHOD ARGS...) 
-;; special form, or by accessing the function with
-;; (htmlize-method-function 'METHOD) and calling (funcall FUNCTION).
-;; The latter form is useful in tight loops because `htmlize-method'
-;; conses.
-
-(defmacro htmlize-method (method &rest args)
-  ;; Expand to (htmlize-TYPE-METHOD ...ARGS...).  TYPE is the value of
-  ;; `htmlize-output-type' at run time.
-  `(funcall (htmlize-method-function ',method) ,@args))
-
-(defun htmlize-method-function (method)
-  ;; Return METHOD's function definition for the current output type.
-  ;; The returned object can be safely funcalled.
-  (let ((sym (intern (format "htmlize-%s-%s" htmlize-output-type method))))
-    (indirect-function (if (fboundp sym)
-			   sym
-			 (let ((default (intern (concat "htmlize-default-"
-							(symbol-name method)))))
-			   (if (fboundp default)
-			       default
-			     'ignore))))))
-
-(defvar htmlize-memoization-table (make-hash-table :test 'equal))
-
-(defmacro htmlize-memoize (key generator)
-  "Return the value of GENERATOR, memoized as KEY.
-That means that GENERATOR will be evaluated and returned the first time
-it's called with the same value of KEY.  All other times, the cached
-\(memoized) value will be returned."
-  (let ((value (cl-gensym)))
-    `(let ((,value (gethash ,key htmlize-memoization-table)))
-       (unless ,value
-	 (setq ,value ,generator)
-	 (setf (gethash ,key htmlize-memoization-table) ,value))
-       ,value)))
-
-;;; Default methods.
-
-(defun htmlize-default-doctype ()
-  nil					; no doc-string
-  ;; Note that the `font' output is technically invalid under this DTD
-  ;; because the DTD doesn't allow embedding  in 
.
-  ""
-  )
-
-(defun htmlize-default-body-tag (face-map)
-  nil					; no doc-string
-  face-map ; shut up the byte-compiler
-  "")
-
-(defun htmlize-default-pre-tag (face-map)
-  nil					; no doc-string
-  face-map ; shut up the byte-compiler
-  "
")
-
-
-;;; CSS based output support.
-
-;; Internal function; not a method.
-(defun htmlize-css-specs (fstruct)
-  (let (result)
-    (when (htmlize-fstruct-foreground fstruct)
-      (push (format "color: %s;" (htmlize-fstruct-foreground fstruct))
-	    result))
-    (when (htmlize-fstruct-background fstruct)
-      (push (format "background-color: %s;"
-		    (htmlize-fstruct-background fstruct))
-	    result))
-    (let ((size (htmlize-fstruct-size fstruct)))
-      (when (and size (not (eq htmlize-ignore-face-size t)))
-	(cond ((floatp size)
-	       (push (format "font-size: %d%%;" (* 100 size)) result))
-	      ((not (eq htmlize-ignore-face-size 'absolute))
-	       (push (format "font-size: %spt;" (/ size 10.0)) result)))))
-    (when (htmlize-fstruct-boldp fstruct)
-      (push "font-weight: bold;" result))
-    (when (htmlize-fstruct-italicp fstruct)
-      (push "font-style: italic;" result))
-    (when (htmlize-fstruct-underlinep fstruct)
-      (push "text-decoration: underline;" result))
-    (when (htmlize-fstruct-overlinep fstruct)
-      (push "text-decoration: overline;" result))
-    (when (htmlize-fstruct-strikep fstruct)
-      (push "text-decoration: line-through;" result))
-    (nreverse result)))
-
-(defun htmlize-css-insert-head (buffer-faces face-map)
-  (insert "    \n"))
-
-(defun htmlize-css-text-markup (fstruct-list buffer)
-  ;; Open the markup needed to insert text colored with FACES into
-  ;; BUFFER.  Return the function that closes the markup.
-
-  ;; In CSS mode, this is easy: just nest the text in one  tag for each face in FSTRUCT-LIST.
-  (dolist (fstruct fstruct-list)
-    (princ "" buffer))
-  (htmlize-lexlet ((fstruct-list fstruct-list) (buffer buffer))
-    (lambda ()
-      (dolist (fstruct fstruct-list)
-        (ignore fstruct)                ; shut up the byte-compiler
-        (princ "" buffer)))))
-
-;; `inline-css' output support.
-
-(defun htmlize-inline-css-body-tag (face-map)
-  (format ""
-	  (mapconcat #'identity (htmlize-css-specs (gethash 'default face-map))
-		     " ")))
-
-(defun htmlize-inline-css-pre-tag (face-map)
-  (if htmlize-pre-style
-      (format "
"
-              (mapconcat #'identity (htmlize-css-specs (gethash 'default face-map))
-                         " "))
-    (format "
")))
-
-(defun htmlize-inline-css-text-markup (fstruct-list buffer)
-  (let* ((merged (htmlize-merge-faces fstruct-list))
-	 (style (htmlize-memoize
-		 merged
-		 (let ((specs (htmlize-css-specs merged)))
-		   (and specs
-			(mapconcat #'identity (htmlize-css-specs merged) " "))))))
-    (when style
-      (princ "" buffer))
-    (htmlize-lexlet ((style style) (buffer buffer))
-      (lambda ()
-        (when style
-          (princ "" buffer))))))
-
-;;; `font' tag based output support.
-
-(defun htmlize-font-body-tag (face-map)
-  (let ((fstruct (gethash 'default face-map)))
-    (format ""
-	    (htmlize-fstruct-foreground fstruct)
-	    (htmlize-fstruct-background fstruct))))
-
-(defun htmlize-font-pre-tag (face-map)
-  (if htmlize-pre-style
-      (let ((fstruct (gethash 'default face-map)))
-        (format "
"
-                (htmlize-fstruct-foreground fstruct)
-                (htmlize-fstruct-background fstruct)))
-    (format "
")))
-       
-(defun htmlize-font-text-markup (fstruct-list buffer)
-  ;; In `font' mode, we use the traditional HTML means of altering
-  ;; presentation:  tag for colors,  for bold,  for
-  ;; underline, and  for strike-through.
-  (let* ((merged (htmlize-merge-faces fstruct-list))
-	 (markup (htmlize-memoize
-		  merged
-		  (cons (concat
-			 (and (htmlize-fstruct-foreground merged)
-			      (format "" (htmlize-fstruct-foreground merged)))
-			 (and (htmlize-fstruct-boldp merged)      "")
-			 (and (htmlize-fstruct-italicp merged)    "")
-			 (and (htmlize-fstruct-underlinep merged) "")
-			 (and (htmlize-fstruct-strikep merged)    ""))
-			(concat
-			 (and (htmlize-fstruct-strikep merged)    "")
-			 (and (htmlize-fstruct-underlinep merged) "")
-			 (and (htmlize-fstruct-italicp merged)    "")
-			 (and (htmlize-fstruct-boldp merged)      "")
-			 (and (htmlize-fstruct-foreground merged) ""))))))
-    (princ (car markup) buffer)
-    (htmlize-lexlet ((markup markup) (buffer buffer))
-      (lambda ()
-        (princ (cdr markup) buffer)))))
-
-(defun htmlize-buffer-1 ()
-  ;; Internal function; don't call it from outside this file.  Htmlize
-  ;; current buffer, writing the resulting HTML to a new buffer, and
-  ;; return it.  Unlike htmlize-buffer, this doesn't change current
-  ;; buffer or use switch-to-buffer.
-  (save-excursion
-    ;; Protect against the hook changing the current buffer.
-    (save-excursion
-      (run-hooks 'htmlize-before-hook))
-    ;; Convince font-lock support modes to fontify the entire buffer
-    ;; in advance.
-    (htmlize-ensure-fontified)
-    (clrhash htmlize-extended-character-cache)
-    (clrhash htmlize-memoization-table)
-    ;; It's important that the new buffer inherits default-directory
-    ;; from the current buffer.
-    (let ((htmlbuf (generate-new-buffer (if (buffer-file-name)
-                                            (htmlize-make-file-name
-                                             (file-name-nondirectory
-                                              (buffer-file-name)))
-                                          "*html*")))
-          (completed nil))
-      (unwind-protect
-          (let* ((buffer-faces (htmlize-faces-in-buffer))
-                 (face-map (htmlize-make-face-map (cl-adjoin 'default buffer-faces)))
-                 (places (cl-gensym))
-                 (title (if (buffer-file-name)
-                            (file-name-nondirectory (buffer-file-name))
-                          (buffer-name))))
-            (when htmlize-generate-hyperlinks
-              (htmlize-create-auto-links))
-            (when htmlize-replace-form-feeds
-              (htmlize-shadow-form-feeds))
-
-            ;; Initialize HTMLBUF and insert the HTML prolog.
-            (with-current-buffer htmlbuf
-              (buffer-disable-undo)
-              (insert (htmlize-method doctype) ?\n
-                      (format "\n"
-                              htmlize-version htmlize-output-type)
-                      "\n  ")
-              (put places 'head-start (point-marker))
-              (insert "\n"
-                      "    " (htmlize-protect-string title) "\n"
-                      (if htmlize-html-charset
-                          (format (concat "    \n")
-                                  htmlize-html-charset)
-                        "")
-                      htmlize-head-tags)
-              (htmlize-method insert-head buffer-faces face-map)
-              (insert "  ")
-              (put places 'head-end (point-marker))
-              (insert "\n  ")
-              (put places 'body-start (point-marker))
-              (insert (htmlize-method body-tag face-map)
-                      "\n    ")
-              (put places 'content-start (point-marker))
-              (insert (htmlize-method pre-tag face-map) "\n"))
-            (let ((text-markup
-                   ;; Get the inserter method, so we can funcall it inside
-                   ;; the loop.  Not calling `htmlize-method' in the loop
-                   ;; body yields a measurable speed increase.
-                   (htmlize-method-function 'text-markup))
-                  ;; Declare variables used in loop body outside the loop
-                  ;; because it's faster to establish `let' bindings only
-                  ;; once.
-                  next-change text face-list trailing-ellipsis
-                  fstruct-list last-fstruct-list
-                  (close-markup (lambda ())))
-              ;; This loop traverses and reads the source buffer, appending
-              ;; the resulting HTML to HTMLBUF.  This method is fast
-              ;; because: 1) it doesn't require examining the text
-              ;; properties char by char (htmlize-next-face-change is used
-              ;; to move between runs with the same face), and 2) it doesn't
-              ;; require frequent buffer switches, which are slow because
-              ;; they rebind all buffer-local vars.
-              (goto-char (point-min))
-              (while (not (eobp))
-                (setq next-change (htmlize-next-face-change (point)))
-                ;; Get faces in use between (point) and NEXT-CHANGE, and
-                ;; convert them to fstructs.
-                (setq face-list (htmlize-faces-at-point)
-                      fstruct-list (delq nil (mapcar (lambda (f)
-                                                       (gethash f face-map))
-                                                     face-list)))
-                (cl-multiple-value-setq (text trailing-ellipsis)
-                  (htmlize-extract-text (point) next-change trailing-ellipsis))
-                ;; Don't bother writing anything if there's no text (this
-                ;; happens in invisible regions).
-                (when (> (length text) 0)
-                  ;; Open the new markup if necessary and insert the text.
-                  (when (not (cl-equalp fstruct-list last-fstruct-list))
-                    (funcall close-markup)
-                    (setq last-fstruct-list fstruct-list
-                          close-markup (funcall text-markup fstruct-list htmlbuf)))
-                  (princ text htmlbuf))
-                (goto-char next-change))
-
-              ;; We've gone through the buffer; close the markup from
-              ;; the last run, if any.
-              (funcall close-markup))
-
-            ;; Insert the epilog and post-process the buffer.
-            (with-current-buffer htmlbuf
-              (insert "
")
-              (put places 'content-end (point-marker))
-              (insert "\n  ")
-              (put places 'body-end (point-marker))
-              (insert "\n\n")
-              (htmlize-defang-local-variables)
-              (goto-char (point-min))
-              (when htmlize-html-major-mode
-                ;; What sucks about this is that the minor modes, most notably
-                ;; font-lock-mode, won't be initialized.  Oh well.
-                (funcall htmlize-html-major-mode))
-              (set (make-local-variable 'htmlize-buffer-places)
-                   (symbol-plist places))
-              (run-hooks 'htmlize-after-hook)
-              (buffer-enable-undo))
-            (setq completed t)
-            htmlbuf)
-
-        (when (not completed)
-          (kill-buffer htmlbuf))
-        (htmlize-delete-tmp-overlays)))))
-
-;; Utility functions.
-
-(defmacro htmlize-with-fontify-message (&rest body)
-  ;; When forcing fontification of large buffers in
-  ;; htmlize-ensure-fontified, inform the user that he is waiting for
-  ;; font-lock, not for htmlize to finish.
-  `(progn
-     (if (> (buffer-size) 65536)
-	 (message "Forcing fontification of %s..."
-		  (buffer-name (current-buffer))))
-     ,@body
-     (if (> (buffer-size) 65536)
-	 (message "Forcing fontification of %s...done"
-		  (buffer-name (current-buffer))))))
-
-(defun htmlize-ensure-fontified ()
-  ;; If font-lock is being used, ensure that the "support" modes
-  ;; actually fontify the buffer.  If font-lock is not in use, we
-  ;; don't care because, except in htmlize-file, we don't force
-  ;; font-lock on the user.
-  (when font-lock-mode
-    ;; In part taken from ps-print-ensure-fontified in GNU Emacs 21.
-    (when (and (boundp 'jit-lock-mode)
-               (symbol-value 'jit-lock-mode))
-      (htmlize-with-fontify-message
-       (jit-lock-fontify-now (point-min) (point-max))))
-
-    (if (fboundp 'font-lock-ensure)
-        (font-lock-ensure)
-      ;; Emacs prior to 25.1
-      (with-no-warnings
-        (font-lock-mode 1)
-        (font-lock-fontify-buffer)))))
-
-
-;;;###autoload
-(defun htmlize-buffer (&optional buffer)
-  "Convert BUFFER to HTML, preserving colors and decorations.
-
-The generated HTML is available in a new buffer, which is returned.
-When invoked interactively, the new buffer is selected in the current
-window.  The title of the generated document will be set to the buffer's
-file name or, if that's not available, to the buffer's name.
-
-Note that htmlize doesn't fontify your buffers, it only uses the
-decorations that are already present.  If you don't set up font-lock or
-something else to fontify your buffers, the resulting HTML will be
-plain.  Likewise, if you don't like the choice of colors, fix the mode
-that created them, or simply alter the faces it uses."
-  (interactive)
-  (let ((htmlbuf (with-current-buffer (or buffer (current-buffer))
-		   (htmlize-buffer-1))))
-    (when (interactive-p)
-      (switch-to-buffer htmlbuf))
-    htmlbuf))
-
-;;;###autoload
-(defun htmlize-region (beg end)
-  "Convert the region to HTML, preserving colors and decorations.
-See `htmlize-buffer' for details."
-  (interactive "r")
-  ;; Don't let zmacs region highlighting end up in HTML.
-  (when (fboundp 'zmacs-deactivate-region)
-    (zmacs-deactivate-region))
-  (let ((htmlbuf (save-restriction
-		   (narrow-to-region beg end)
-		   (htmlize-buffer-1))))
-    (when (interactive-p)
-      (switch-to-buffer htmlbuf))
-    htmlbuf))
-
-(defun htmlize-region-for-paste (beg end)
-  "Htmlize the region and return just the HTML as a string.
-This forces the `inline-css' style and only returns the HTML body,
-but without the BODY tag.  This should make it useful for inserting
-the text to another HTML buffer."
-  (let* ((htmlize-output-type 'inline-css)
-	 (htmlbuf (htmlize-region beg end)))
-    (unwind-protect
-	(with-current-buffer htmlbuf
-	  (buffer-substring (plist-get htmlize-buffer-places 'content-start)
-			    (plist-get htmlize-buffer-places 'content-end)))
-      (kill-buffer htmlbuf))))
-
-(defun htmlize-region-save-screenshot (beg end)
-  "Save the htmlized (see `htmlize-region-for-paste') region in
-the kill ring. Uses `inline-css', with style information in
-`
' tags, so that the rendering of the marked up text
-approximates the buffer as closely as possible."
-  (interactive "r")
-  (let ((htmlize-pre-style t))
-    (kill-new (htmlize-region-for-paste beg end)))
-  (deactivate-mark))
-
-(defun htmlize-make-file-name (file)
-  "Make an HTML file name from FILE.
-
-In its default implementation, this simply appends `.html' to FILE.
-This function is called by htmlize to create the buffer file name, and
-by `htmlize-file' to create the target file name.
-
-More elaborate transformations are conceivable, such as changing FILE's
-extension to `.html' (\"file.c\" -> \"file.html\").  If you want them,
-overload this function to do it and htmlize will comply."
-  (concat file ".html"))
-
-;; Older implementation of htmlize-make-file-name that changes FILE's
-;; extension to ".html".
-;(defun htmlize-make-file-name (file)
-;  (let ((extension (file-name-extension file))
-;	(sans-extension (file-name-sans-extension file)))
-;    (if (or (equal extension "html")
-;	    (equal extension "htm")
-;	    (equal sans-extension ""))
-;	(concat file ".html")
-;      (concat sans-extension ".html"))))
-
-;;;###autoload
-(defun htmlize-file (file &optional target)
-  "Load FILE, fontify it, convert it to HTML, and save the result.
-
-Contents of FILE are inserted into a temporary buffer, whose major mode
-is set with `normal-mode' as appropriate for the file type.  The buffer
-is subsequently fontified with `font-lock' and converted to HTML.  Note
-that, unlike `htmlize-buffer', this function explicitly turns on
-font-lock.  If a form of highlighting other than font-lock is desired,
-please use `htmlize-buffer' directly on buffers so highlighted.
-
-Buffers currently visiting FILE are unaffected by this function.  The
-function does not change current buffer or move the point.
-
-If TARGET is specified and names a directory, the resulting file will be
-saved there instead of to FILE's directory.  If TARGET is specified and
-does not name a directory, it will be used as output file name."
-  (interactive (list (read-file-name
-		      "HTML-ize file: "
-		      nil nil nil (and (buffer-file-name)
-				       (file-name-nondirectory
-					(buffer-file-name))))))
-  (let ((output-file (if (and target (not (file-directory-p target)))
-			 target
-		       (expand-file-name
-			(htmlize-make-file-name (file-name-nondirectory file))
-			(or target (file-name-directory file)))))
-	;; Try to prevent `find-file-noselect' from triggering
-	;; font-lock because we'll fontify explicitly below.
-	(font-lock-mode nil)
-	(font-lock-auto-fontify nil)
-	(global-font-lock-mode nil)
-	;; Ignore the size limit for the purposes of htmlization.
-	(font-lock-maximum-size nil))
-    (with-temp-buffer
-      ;; Insert FILE into the temporary buffer.
-      (insert-file-contents file)
-      ;; Set the file name so normal-mode and htmlize-buffer-1 pick it
-      ;; up.  Restore it afterwards so with-temp-buffer's kill-buffer
-      ;; doesn't complain about killing a modified buffer.
-      (let ((buffer-file-name file))
-	;; Set the major mode for the sake of font-lock.
-	(normal-mode)
-	;; htmlize the buffer and save the HTML.
-	(with-current-buffer (htmlize-buffer-1)
-	  (unwind-protect
-	      (progn
-		(run-hooks 'htmlize-file-hook)
-		(write-region (point-min) (point-max) output-file))
-	    (kill-buffer (current-buffer)))))))
-  ;; I haven't decided on a useful return value yet, so just return
-  ;; nil.
-  nil)
-
-;;;###autoload
-(defun htmlize-many-files (files &optional target-directory)
-  "Convert FILES to HTML and save the corresponding HTML versions.
-
-FILES should be a list of file names to convert.  This function calls
-`htmlize-file' on each file; see that function for details.  When
-invoked interactively, you are prompted for a list of files to convert,
-terminated with RET.
-
-If TARGET-DIRECTORY is specified, the HTML files will be saved to that
-directory.  Normally, each HTML file is saved to the directory of the
-corresponding source file."
-  (interactive
-   (list
-    (let (list file)
-      ;; Use empty string as DEFAULT because setting DEFAULT to nil
-      ;; defaults to the directory name, which is not what we want.
-      (while (not (equal (setq file (read-file-name
-				     "HTML-ize file (RET to finish): "
-				     (and list (file-name-directory
-						(car list)))
-				     "" t))
-			 ""))
-	(push file list))
-      (nreverse list))))
-  ;; Verify that TARGET-DIRECTORY is indeed a directory.  If it's a
-  ;; file, htmlize-file will use it as target, and that doesn't make
-  ;; sense.
-  (and target-directory
-       (not (file-directory-p target-directory))
-       (error "target-directory must name a directory: %s" target-directory))
-  (dolist (file files)
-    (htmlize-file file target-directory)))
-
-;;;###autoload
-(defun htmlize-many-files-dired (arg &optional target-directory)
-  "HTMLize dired-marked files."
-  (interactive "P")
-  (htmlize-many-files (dired-get-marked-files nil arg) target-directory))
-
-(provide 'htmlize)
-
-;; Local Variables:
-;; byte-compile-warnings: (not unresolved obsolete)
-;; End:
-
-;;; htmlize.el ends here

From b57ea3f1a69b12010f50b9463e34b3249fd8530e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Tue, 27 Jul 2021 11:23:30 +0200
Subject: [PATCH 13/34] Link libvfc_probes and libvfc_probes_f when CI support
 enabled

Those 2 libraries used to be linked in an IF statement of the
Makefile.am when the support for Verificarlo CI was enabled. This seemed
to have beeb removed accidentally when merging changes from the main repository.
---
 Makefile.am | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/Makefile.am b/Makefile.am
index 82502cd..fbefaac 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -30,6 +30,9 @@
 # OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
 # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 
+if VFC_CI
+AM_LDFLAGS=-lvfc_probes -lvfc_probes_f
+endif
 
 ACLOCAL_AMFLAGS = -I m4
 

From cb522f7e1db6a1896ca59430f8e7fdd40eb4542f Mon Sep 17 00:00:00 2001
From: vijay gopal chilkuri 
Date: Tue, 27 Jul 2021 12:34:50 +0200
Subject: [PATCH 14/34] Added verificarlo based compilation info in TODO. #29

---
 TODO.org | 27 +++++++++++++++++++++++++++
 1 file changed, 27 insertions(+)

diff --git a/TODO.org b/TODO.org
index b565b64..561860e 100644
--- a/TODO.org
+++ b/TODO.org
@@ -1,3 +1,5 @@
+#+STARTUP: showeverything
+
 * Set up CI on Travis
 * Write tests
 
@@ -19,3 +21,28 @@ context.
 * Put pictures
 * Make the Makefile part of the documented code ?
 * Put the data-flow graph in the code.
+
+* Verificarlo TODO
+These are installation instructions for
+verificarlo which needs to be moved to 
+an appropriate place at some point.
+** Compilation and Testing
+
+The following steps were required to get
+the verificarlo version up and running on
+an Ubuntu 20.04 laptop.
+
+1. Compilers
+   a. clang - For e.g. clang-7
+   b. flang - For e.g. flang-7 : Care needs to be taken
+                                 that the flang version 
+                                 is compatible with the
+                                 clang version used.
+                                 There are known issues
+                                 with using oneAPI due
+                                 to flang being incompatible
+                                 with oneAPI supplied clang.
+   c. gcc   - For e.g. gcc-7
+
+2. Environment varibales
+   a. VFC_BACKENDS - For e.g. `VFC_BACKENDS="libinterflop_ieee.so"` 

From eb8d75c247b5dd6b832aadf49208f2af730deacd Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Tue, 27 Jul 2021 15:50:33 +0200
Subject: [PATCH 15/34] Add accuracy target in distance and AO probes

The target has been set to 1d.-14 (or epsilon), because this was the value already
used in the tests. However this might not be the best choice with the
non-deterministic backend, so it might be necessary to adjust it in the
future.

Also, the expectedValue argument has been set to 0 since it is not used.
(the tests checks have already been written anyway)
---
 org/qmckl_ao.org       | 44 +++++++++++++++++++++---------------------
 org/qmckl_distance.org | 16 +++++++--------
 2 files changed, 30 insertions(+), 30 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 596287d..83bafd9 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1772,20 +1772,20 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
   test_qmckl_ao_gaussian_vgl = &
        qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_1"//C_NULL_CHAR, &
-    DBLE(VGL(2,1)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_1"//C_NULL_CHAR, &
+    DBLE(VGL(2,1)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_2"//C_NULL_CHAR, &
-    DBLE(VGL(2,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_2"//C_NULL_CHAR, &
+    DBLE(VGL(2,2)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_3"//C_NULL_CHAR, &
-    DBLE(VGL(2,3)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_3"//C_NULL_CHAR, &
+    DBLE(VGL(2,3)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_4"//C_NULL_CHAR, &
-    DBLE(VGL(2,4)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_4"//C_NULL_CHAR, &
+    DBLE(VGL(2,4)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
-    DBLE(VGL(2,5)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
+    DBLE(VGL(2,5)), DBLE(0), DBLE(epsilon))
 
 
   if (test_qmckl_ao_gaussian_vgl /= 0) return
@@ -2847,8 +2847,8 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
-    DBLE(P(2,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
+    DBLE(P(2,2)), DBLE(0), DBLE(epsilon))
 
   if (test_qmckl_ao_power /= QMCKL_SUCCESS) return
 
@@ -3187,20 +3187,20 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
   test_qmckl_ao_polynomial_vgl = &
        qmckl_ao_polynomial_vgl(context, X, R, lmax, n, L, ldl, VGL, ldv)
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_1_2"//C_NULL_CHAR, &
-    DBLE(VGL(1,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "polynomial_vgl_1_2"//C_NULL_CHAR, &
+    DBLE(VGL(1,2)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_2_2"//C_NULL_CHAR, &
-    DBLE(VGL(2,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "polynomial_vgl_2_2"//C_NULL_CHAR, &
+    DBLE(VGL(2,2)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_3_2"//C_NULL_CHAR, &
-    DBLE(VGL(3,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "polynomial_vgl_3_2"//C_NULL_CHAR, &
+    DBLE(VGL(3,2)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_4_2"//C_NULL_CHAR, &
-    DBLE(VGL(4,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "polynomial_vgl_4_2"//C_NULL_CHAR, &
+    DBLE(VGL(4,2)), DBLE(0), DBLE(epsilon))
 
-  vfc_err = qmckl_probe("ao"//C_NULL_CHAR, "polynomial_vgl_5_2"//C_NULL_CHAR, &
-    DBLE(VGL(5,2)))
+  vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "polynomial_vgl_5_2"//C_NULL_CHAR, &
+    DBLE(VGL(5,2)), DBLE(0), DBLE(epsilon))
 
   if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
   if (n /= d) return
diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org
index 72282f3..f580691 100644
--- a/org/qmckl_distance.org
+++ b/org/qmckl_distance.org
@@ -339,7 +339,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_Tt_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_sq_Tt_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -360,7 +360,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_sq_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -381,7 +381,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err =  qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_Tn_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err =  qmckl_probe_check("distance"//C_NULL_CHAR, "distance_sq_Tn_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -402,7 +402,7 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   test_qmckl_distance_sq = &
        qmckl_distance_sq(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_sq_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_sq_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_distance_sq == 0) return
 
@@ -775,7 +775,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 't', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_Tt_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_Tt_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_dist == 0) return
 
@@ -796,7 +796,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'T', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_dist == 0) return
 
@@ -817,7 +817,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'T', 'n', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_Tn_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_Tn_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_dist == 0) return
 
@@ -838,7 +838,7 @@ integer(qmckl_exit_code) function test_qmckl_dist(context) bind(C)
   test_qmckl_dist = &
        qmckl_distance(context, 'n', 'N', m, n, A, LDA, B, LDB, C, LDC)
 
-  vfc_err = qmckl_probe("distance"//C_NULL_CHAR, "distance_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)))
+  vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
   if (test_qmckl_dist == 0) return
 

From fb3eeaaa5de58cd2702da1bf8bccf254ba1d5d8c Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Fri, 30 Jul 2021 11:10:16 +0200
Subject: [PATCH 16/34] Add pkg-config install in CI (should fix issues)

Installing pkg-config in the workflowconfig file should fix configure
issues, and allow the CI to succeed.
---
 .github/workflows/vfc_test_workflow.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/vfc_test_workflow.yml b/.github/workflows/vfc_test_workflow.yml
index bf66347..cd63ec5 100644
--- a/.github/workflows/vfc_test_workflow.yml
+++ b/.github/workflows/vfc_test_workflow.yml
@@ -25,7 +25,7 @@ jobs:
         run: |
           ln -s /usr/bin/python3 /usr/bin/python
           apt update
-          apt -y install emacs
+          apt -y install emacs pkg-config
 
       - name: Run tests
         run: vfc_ci test -g -r

From f59a6385ee2d5fe889e55974aa39ad86eff79ebc Mon Sep 17 00:00:00 2001
From: PurplePachyderm 
Date: Thu, 19 Aug 2021 12:47:50 +0200
Subject: [PATCH 17/34] Correctly wrap qmckl_dump_probes in preprocessor guard

---
 tools/qmckl_probes.c | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/tools/qmckl_probes.c b/tools/qmckl_probes.c
index 49f9327..7bea2ed 100644
--- a/tools/qmckl_probes.c
+++ b/tools/qmckl_probes.c
@@ -58,12 +58,11 @@ bool qmckl_probe_check_relative (
 #endif
 }
 
-
-void __attribute__((destructor)) qmckl_dump_probes(){
 #ifdef VFC_CI
+void __attribute__((destructor)) qmckl_dump_probes(){
     vfc_dump_probes(&probes);
-#endif
 }
+#endif
 
 
 // Fortran wrappers

From 26ca2d3907a5adb3d3e23825560f5a7b1c5ce1cf Mon Sep 17 00:00:00 2001
From: Aurelien Delval 
Date: Fri, 20 Aug 2021 15:11:28 +0000
Subject: [PATCH 18/34] Modify behaviour of QMCkl probes when VFC_CI is
 disabled

Now, probes witth absolute check and relative checks perform the
verification with the expected/actual value as expected and returns a
boolean to indicate the result.
---
 tools/qmckl_probes.c | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/tools/qmckl_probes.c b/tools/qmckl_probes.c
index 7bea2ed..a55105c 100644
--- a/tools/qmckl_probes.c
+++ b/tools/qmckl_probes.c
@@ -1,4 +1,5 @@
 #include 
+#include 
 #include 
 
 #ifdef VFC_CI
@@ -39,7 +40,7 @@ bool qmckl_probe_check(
 #ifdef VFC_CI
     return vfc_probe_check(&probes, testName, varName, value, accuracyTarget);
 #else
-    return !(value == expectedValue);
+    return !(abs(value - expectedValue) < accuracyTarget);
 #endif
 }
 
@@ -54,7 +55,7 @@ bool qmckl_probe_check_relative (
 #ifdef VFC_CI
     return vfc_probe_check_relative(&probes, testName, varName, value, accuracyTarget);
 #else
-    return !(value <= expectedValue + accuracyTarget || value >= expectedValue - accuracyTarget);
+    return !(abs(value - expectedValue) / abs(expectedValue) < accuracyTarget);
 #endif
 }
 

From 291ea5441d579810b9340a8d7bf3472ec7acecc3 Mon Sep 17 00:00:00 2001
From: Aurelien Delval 
Date: Tue, 24 Aug 2021 19:16:49 +0000
Subject: [PATCH 19/34] Correctly ignore asserts for vfc_ci

Some asserts where not correctly ignored with vfc_ci and caused tests to
exit prematurely when compiling the library with Verificarlo and using
stochastic backends.
---
 org/qmckl_ao.org       | 3 +++
 org/qmckl_distance.org | 6 ------
 2 files changed, 3 insertions(+), 6 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 83bafd9..90fc648 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -2846,6 +2846,7 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
   end do
 
   test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
+  print *, "test_qmckl_ao_power", test_qmckl_ao_power
 
   vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
     DBLE(P(2,2)), DBLE(0), DBLE(epsilon))
@@ -2854,6 +2855,7 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   test_qmckl_ao_power = QMCKL_FAILURE
 
+#ifndef VFC_CI
   do j=1,n
      do i=1,LMAX(j)
         if ( X(j)**i == 0.d0 ) then
@@ -2863,6 +2865,7 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
         end if
      end do
   end do
+#endif
 
   test_qmckl_ao_power = QMCKL_SUCCESS
   deallocate(X,P,LMAX)
diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org
index f580691..fd524f4 100644
--- a/org/qmckl_distance.org
+++ b/org/qmckl_distance.org
@@ -308,7 +308,6 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
   LDC = 5
 
   allocate( A(LDA,m), B(LDB,n), C(LDC,n) )
-
   do j=1,m
      do i=1,m
         A(i,j) = -10.d0 + dble(i+j)
@@ -362,8 +361,6 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
 
   vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_sq_nT_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
-  if (test_qmckl_distance_sq == 0) return
-
 
   test_qmckl_distance_sq = QMCKL_FAILURE
 
@@ -385,7 +382,6 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
 
   if (test_qmckl_distance_sq == 0) return
 
-
   test_qmckl_distance_sq = QMCKL_FAILURE
 
   do j=1,n
@@ -404,8 +400,6 @@ integer(qmckl_exit_code) function test_qmckl_distance_sq(context) bind(C)
 
   vfc_err = qmckl_probe_check("distance"//C_NULL_CHAR, "distance_sq_nN_2_2"//C_NULL_CHAR, DBLE(C(2,2)), DBLE(0), DBLE(1.d-14))
 
-  if (test_qmckl_distance_sq == 0) return
-
   test_qmckl_distance_sq = QMCKL_FAILURE
 
   do j=1,n

From 5e18523274f0c5f3758d2229eb6f8e4d58299052 Mon Sep 17 00:00:00 2001
From: Aurelien Delval 
Date: Thu, 26 Aug 2021 09:50:05 +0000
Subject: [PATCH 20/34] Properly comment qmckl_probes

Add comment to explicit the use of qmckl_probes and provide a link to
Verificarlo's documentation
---
 tools/qmckl_probes.c | 38 +++++++++++++++++++++++++++++++++++++-
 1 file changed, 37 insertions(+), 1 deletion(-)

diff --git a/tools/qmckl_probes.c b/tools/qmckl_probes.c
index a55105c..7ac31c2 100644
--- a/tools/qmckl_probes.c
+++ b/tools/qmckl_probes.c
@@ -8,8 +8,31 @@ vfc_probes probes;
 #endif
 
 
-// Wrappers to Verificarlo functions
+// QMCkl is a wrapper to Verificarlo's vfc_probes system. The goal of QMCkl 
+// probes isto simplify the use of vfc_probes, and to provide functions that 
+// can be called either wit or without vfc_ci support by using #ifndef 
+// statements : 
+//
+// - when vfc_ci is disabled, qmckl_probes functions will either return false 
+// (no error) or perform a check based on a reference value
+// - when vfc_ci is enabled, qmckl_probe functions will simply encapsulate 
+// calls to vfc_probe 
+//
+// Moreover, one does not have to worry about the life cycle of the probes 
+// structure, as it is automatically created, dumped and freed by this wrapper.
+//
+// vfc_ci support can be enabled by using the following configure command : 
+// QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install --enable-silent-rules 
+// --enable-maintainer-mode CC=verificarlo-f FC=verificarlo-f --host=x86_64
+// 
+// Finally, this wrapper also comes with a Fortran interface (in its dedicated 
+// file).
+//
+// To learn more about Verificarlo CI : 
+// https://github.com/verificarlo/verificarlo/blob/master/doc/06-Postprocessing.md#verificarlo-ci
 
+
+// Automatically initialize the vfc_probe object if VFC_CI is defined
 #ifdef VFC_CI
 void __attribute__((constructor)) qmckl_init_probes(){
 	probes = vfc_init_probes();
@@ -17,6 +40,9 @@ void __attribute__((constructor)) qmckl_init_probes(){
 #endif
 
 
+// Standard probe, without check
+// - if VFC_CI is defined, place a standard probe
+// - if VFC_CI is undefined, return false (no error)
 bool qmckl_probe(
     char * testName,
     char * varName,
@@ -30,6 +56,10 @@ bool qmckl_probe(
 }
 
 
+// Probe with absolute check
+// - if VFC_CI is defined, place a probe with an absolute check
+// - if VFC_CI is undefined, perform an absolute check based on target value
+// and accuracy
 bool qmckl_probe_check(
     char * testName,
     char * varName,
@@ -45,6 +75,10 @@ bool qmckl_probe_check(
 }
 
 
+// Probe with relative check
+// - if VFC_CI is defined, place a probe with a relative check
+// - if VFC_CI is undefined, perform a relative check based on target value
+// and accuracy
 bool qmckl_probe_check_relative (
     char * testName,
     char * varName,
@@ -59,6 +93,8 @@ bool qmckl_probe_check_relative (
 #endif
 }
 
+
+// Automatically delete and dump the vfc_probe object if VFC_CI is defined
 #ifdef VFC_CI
 void __attribute__((destructor)) qmckl_dump_probes(){
     vfc_dump_probes(&probes);

From e750b72010967e1644647529f4a8a6a30f80f501 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Fri, 27 Aug 2021 14:06:28 +0200
Subject: [PATCH 21/34] Minor dependency fix to Makefile.am

---
 Makefile.am | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/Makefile.am b/Makefile.am
index fbefaac..371e5df 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -96,10 +96,10 @@ $(src_qmckl_fo): $(src_qmckl_f)
 $(src_qmckl_f): $(srcdir)/$(qmckl_f)
 	cp $(srcdir)/$(qmckl_f) $(src_qmckl_f)
 
-src/qmckl_probes.c: $(srcdir)/tools/qmckl_probes.c
+src/qmckl_probes.c:
 	cp $(srcdir)/tools/qmckl_probes.c $(srcdir)/src/qmckl_probes.c
 
-src/qmckl_probes.h: $(srcdir)/tools/qmckl_probes.h
+src/qmckl_probes.h:
 	cp $(srcdir)/tools/qmckl_probes.h $(srcdir)/src/qmckl_probes.h
 
 src/qmckl_probes_f.f90:

From c32d7fb5eedeb5269abdc4ac85384e6789942747 Mon Sep 17 00:00:00 2001
From: Aurelien Delval 
Date: Mon, 30 Aug 2021 11:25:16 +0000
Subject: [PATCH 22/34] Move qmckl_probes mod file to another CLEADIST
 statement

---
 Makefile.am | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/Makefile.am b/Makefile.am
index 371e5df..705dcfd 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -41,7 +41,7 @@ VERSION_MINOR   = @VERSION_MINOR@
 VERSION_PATCH   = @VERSION_PATCH@
 
 SUBDIRS =
-CLEANFILES = qmckl.mod
+CLEANFILES = qmckl.mod qmckl_probes_f.mod
 EXTRA_DIST =
 
 pkgconfigdir = $(libdir)/pkgconfig
@@ -123,7 +123,7 @@ dist_src_DATA = $(ORG_FILES) $(TANGLED_FILES) $(EXPORTED_FILES)
 
 BUILT_SOURCES = $(C_FILES) $(F_FILES) $(FH_FUNC_FILES) $(FH_TYPE_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES) $(qmckl_f) $(qmckl_h) $(header_tests)
 
-CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) $(TANGLED_FILES) $(C_TEST_FILES) $(F_TEST_FILES) $(qmckl_f) $(qmckl_h) $(HTML_FILES) $(TEXT_FILES) share/doc/qmckl/html/index.html $(EXPORTED_FILES) $(header_tests) qmckl_probes_f.mod
+CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) $(TANGLED_FILES) $(C_TEST_FILES) $(F_TEST_FILES) $(qmckl_f) $(qmckl_h) $(HTML_FILES) $(TEXT_FILES) share/doc/qmckl/html/index.html $(EXPORTED_FILES) $(header_tests) 
 
 EXTRA_DIST +=                 \
     tools/build_doc.sh        \

From e75d249474af11614e8bd78e8c35e7c7b8288c90 Mon Sep 17 00:00:00 2001
From: Aurelien Delval 
Date: Mon, 30 Aug 2021 15:59:11 +0000
Subject: [PATCH 23/34] Correctly ignore problematic checks for vfc_ci

Some checks in the AO test were not correctly ignored by the
preprocessor when vfc_ci support was enabled. This caused the test to
fail unexpectedly and made it impossible to get data from it in vfc_ci.
---
 org/qmckl_ao.org | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 90fc648..8d8ba22 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1768,7 +1768,6 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
      A(i) = 0.0013 * dble(ishft(1,i))
   end do
 
-
   test_qmckl_ao_gaussian_vgl = &
        qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
 
@@ -1787,8 +1786,9 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
   vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
     DBLE(VGL(2,5)), DBLE(0), DBLE(epsilon))
 
-
+#ifndef VFC_CI
   if (test_qmckl_ao_gaussian_vgl /= 0) return
+#endif
 
   test_qmckl_ao_gaussian_vgl = -1
 
@@ -1822,8 +1822,8 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
 #endif
 
   test_qmckl_ao_gaussian_vgl = 0
-
   deallocate(VGL)
+
 end function test_qmckl_ao_gaussian_vgl
    #+end_src
 
@@ -2846,7 +2846,6 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
   end do
 
   test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
-  print *, "test_qmckl_ao_power", test_qmckl_ao_power
 
   vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
     DBLE(P(2,2)), DBLE(0), DBLE(epsilon))
@@ -3208,7 +3207,7 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
   if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
   if (n /= d) return
 
-#ifdef VFC_CI
+#ifndef VFC_CI
   do j=1,n
      test_qmckl_ao_polynomial_vgl = QMCKL_FAILURE
      do i=1,3

From e3ec28ad405c1f7ff49c2eccf6b100602b40f56f Mon Sep 17 00:00:00 2001
From: Aurelien Delval 
Date: Tue, 31 Aug 2021 09:18:17 +0000
Subject: [PATCH 24/34] Add qmckl_probes description to the code documentation

---
 org/qmckl.org | 58 +++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 58 insertions(+)

diff --git a/org/qmckl.org b/org/qmckl.org
index 2533b05..6113a89 100644
--- a/org/qmckl.org
+++ b/org/qmckl.org
@@ -256,6 +256,64 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
    functions  will  use  the  precision specified  in  the  =context=
    variable.
 
+   In order to automatize numerical accuracy tests, QMCkl uses 
+   [[https://github.com/verificarlo/verificarlo][Verificarlo]] and 
+   its CI functionality. You can read Verificarlo CI's documentation 
+   at the [[https://github.com/verificarlo/verificarlo/blob/master/doc/06-Postprocessing.md#verificarlo-ci][following link]].
+   Reading it is advised to understand the remainder of this section.
+   
+   To enable support for Verificarlo CI tests when building the 
+   library, use the following configure command : 
+
+   #+begin_src bash
+   QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install --enable-silent-rules --enable-maintainer-mode CC=verificarlo-f FC=verificarlo-f --host=x86_64 --enable-vfc_ci
+   #+end_src
+
+   Note that this does require an install of Verificarlo *with 
+   Fortran support*. Enabling the support for CI will define the 
+   ~VFC_CI~ preprocessor variable which use will be explained now.
+
+   As explained in the documentation, Verificarlo CI uses a probes 
+   system to export variables from test programs to the tools itself.
+   To make tests easier to use, QMCkl has its own interface to the 
+   probes system. To make the system very easy to use, these functions 
+   are always defined, but will behave differently depending on the 
+   ~VFC_CI~ preprocessor variable. There are 3 functions at your 
+   disposal. When the CI is enabled, they will place a ~vfc_ci~ probe 
+   as if calling ~vfc_probes~ directly. Otherwise, they will either do 
+   nothing or perform a check on the tested value and return its result 
+   as a boolean that you are free to use or ignore. 
+   Here are these 3 functions : 
+
+   - ~qmckl_probe~ : place a normal probe witout any check. Won't do 
+   anything when ~vfc_ci~ is disabled. 
+   - ~qmckl_probe_check~ : place a probe with a relative check. If 
+   ~vfc_ci~ is disabled, this will return the result of a relative 
+   check (|val - ref| / ref < accuracy target?). 
+   - ~qmckl_probe_check~ : place a probe with an absolute check. If 
+   ~vfc_ci~ is disabled, this will return the result of an absolute 
+   check (|val - ref| < accuracy target ?)
+
+  If you need more details on these functions or their Fortran 
+  interfaces, have a look at the ~tools/qmckl_probes~ files.
+
+  Finally, if you need to add a QMCkl kernel to the CI tests 
+  or modify an existing one, you should pay attention to the 
+  following points : 
+
+  - you should add the new kernel to the ~vfc_tests_config.json~ file, 
+  which controls the backends and repetitions for each executable. More 
+  details can be found in the ~vfc_ci~ documentation. 
+
+  - in order to call the ~qmckl_probes~ functions from Fortran, import 
+  the ~qmckl_probes_f~ module. All Fortran functions are appended with 
+  the ~_f~ suffix.
+
+  - if your tests include some asserts that rely on accurate FP values, 
+  you should probably wrap them inside a ~#ifndef VFC_CI~ statement, as 
+  the asserts would otherwise risk to fail when executed with the 
+  different Verificarlo backends.
+
 ** Algorithms
 
    Reducing the scaling of an  algorithm usually implies also reducing

From 703031b16f7389af3a6a179daca0597d9114d417 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Thu, 2 Sep 2021 11:56:56 +0200
Subject: [PATCH 25/34] Fix indentation of lists in documentations

Line breaks in the lists of the documentation appeared in the file
preview. They have been removed so that all of its text belongs
correctly to eac bullet point.
---
 org/qmckl.org | 69 +++++++++++++++++++++------------------------------
 1 file changed, 28 insertions(+), 41 deletions(-)

diff --git a/org/qmckl.org b/org/qmckl.org
index 6113a89..9927b73 100644
--- a/org/qmckl.org
+++ b/org/qmckl.org
@@ -256,63 +256,51 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
    functions  will  use  the  precision specified  in  the  =context=
    variable.
 
-   In order to automatize numerical accuracy tests, QMCkl uses 
-   [[https://github.com/verificarlo/verificarlo][Verificarlo]] and 
-   its CI functionality. You can read Verificarlo CI's documentation 
+   In order to automatize numerical accuracy tests, QMCkl uses
+   [[https://github.com/verificarlo/verificarlo][Verificarlo]] and
+   its CI functionality. You can read Verificarlo CI's documentation
    at the [[https://github.com/verificarlo/verificarlo/blob/master/doc/06-Postprocessing.md#verificarlo-ci][following link]].
    Reading it is advised to understand the remainder of this section.
-   
-   To enable support for Verificarlo CI tests when building the 
-   library, use the following configure command : 
+
+   To enable support for Verificarlo CI tests when building the
+   library, use the following configure command :
 
    #+begin_src bash
    QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install --enable-silent-rules --enable-maintainer-mode CC=verificarlo-f FC=verificarlo-f --host=x86_64 --enable-vfc_ci
    #+end_src
 
-   Note that this does require an install of Verificarlo *with 
-   Fortran support*. Enabling the support for CI will define the 
+   Note that this does require an install of Verificarlo *with
+   Fortran support*. Enabling the support for CI will define the
    ~VFC_CI~ preprocessor variable which use will be explained now.
 
-   As explained in the documentation, Verificarlo CI uses a probes 
+   As explained in the documentation, Verificarlo CI uses a probes
    system to export variables from test programs to the tools itself.
-   To make tests easier to use, QMCkl has its own interface to the 
-   probes system. To make the system very easy to use, these functions 
-   are always defined, but will behave differently depending on the 
-   ~VFC_CI~ preprocessor variable. There are 3 functions at your 
-   disposal. When the CI is enabled, they will place a ~vfc_ci~ probe 
-   as if calling ~vfc_probes~ directly. Otherwise, they will either do 
-   nothing or perform a check on the tested value and return its result 
-   as a boolean that you are free to use or ignore. 
-   Here are these 3 functions : 
+   To make tests easier to use, QMCkl has its own interface to the
+   probes system. To make the system very easy to use, these functions
+   are always defined, but will behave differently depending on the
+   ~VFC_CI~ preprocessor variable. There are 3 functions at your
+   disposal. When the CI is enabled, they will place a ~vfc_ci~ probe
+   as if calling ~vfc_probes~ directly. Otherwise, they will either do
+   nothing or perform a check on the tested value and return its result
+   as a boolean that you are free to use or ignore.
+   Here are these 3 functions :
 
-   - ~qmckl_probe~ : place a normal probe witout any check. Won't do 
-   anything when ~vfc_ci~ is disabled. 
-   - ~qmckl_probe_check~ : place a probe with a relative check. If 
-   ~vfc_ci~ is disabled, this will return the result of a relative 
-   check (|val - ref| / ref < accuracy target?). 
-   - ~qmckl_probe_check~ : place a probe with an absolute check. If 
-   ~vfc_ci~ is disabled, this will return the result of an absolute 
-   check (|val - ref| < accuracy target ?)
+   - ~qmckl_probe~ : place a normal probe witout any check. Won't do anything when ~vfc_ci~ is disabled.
+   - ~qmckl_probe_check~ : place a probe with a relative check. If ~vfc_ci~ is disabled, this will return the result of a relative check (|val - ref| / ref < accuracy target?).
+   - ~qmckl_probe_check~ : place a probe with an absolute check. If ~vfc_ci~ is disabled, this will return the result of an absolute check (|val - ref| < accuracy target ?)
 
-  If you need more details on these functions or their Fortran 
+  If you need more details on these functions or their Fortran
   interfaces, have a look at the ~tools/qmckl_probes~ files.
 
-  Finally, if you need to add a QMCkl kernel to the CI tests 
-  or modify an existing one, you should pay attention to the 
-  following points : 
+  Finally, if you need to add a QMCkl kernel to the CI tests
+  or modify an existing one, you should pay attention to the
+  following points :
 
-  - you should add the new kernel to the ~vfc_tests_config.json~ file, 
-  which controls the backends and repetitions for each executable. More 
-  details can be found in the ~vfc_ci~ documentation. 
+  - you should add the new kernel to the ~vfc_tests_config.json~ file, which controls the backends and repetitions for each executable. More details can be found in the ~vfc_ci~ documentation.
 
-  - in order to call the ~qmckl_probes~ functions from Fortran, import 
-  the ~qmckl_probes_f~ module. All Fortran functions are appended with 
-  the ~_f~ suffix.
+  - in order to call the ~qmckl_probes~ functions from Fortran, import the ~qmckl_probes_f~ module. All Fortran functions are appended with the ~_f~ suffix.
 
-  - if your tests include some asserts that rely on accurate FP values, 
-  you should probably wrap them inside a ~#ifndef VFC_CI~ statement, as 
-  the asserts would otherwise risk to fail when executed with the 
-  different Verificarlo backends.
+  - if your tests include some asserts that rely on accurate FP values, you should probably wrap them inside a ~#ifndef VFC_CI~ statement, as the asserts would otherwise risk to fail when executed with the different Verificarlo backends.
 
 ** Algorithms
 
@@ -322,4 +310,3 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
    algorithms are  better adapted than linear  scaling algorithms.  As
    QMCkl is a  general purpose library, multiple  algorithms should be
    implemented adapted to different problem sizes.
-

From 78fdbfca778ba8133054f74c5c99c398e63513f8 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Mon, 6 Sep 2021 16:34:48 +0200
Subject: [PATCH 26/34] Increase the value of epsilon when vfc_ci is enabled

The previous value of epsilon, which was pulled form the qmckl_context
and reused fot the qmckl probes, was arout 4.10^-16. It's a good value
to use for the tests with IEEE arithmetic, however, MCA introduces some
noise which is at this order of magnitude, and caused one probe in
particular to fail, while its accuracy was actually satisfying.

This value is now multiplied by 16 if VFC_CI is defined (to ask for 4
less significant digits in base 2), which makes more sense for MCA.
---
 org/qmckl_ao.org | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 8d8ba22..42f7692 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -1755,6 +1755,13 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
 
   epsilon = qmckl_get_numprec_epsilon(context)
 
+#ifdef VFC_CI
+  ! Multplying epsilon by 16 = 2^4 is equivalent to asking 4 significant digits
+  ! less. This makes sense because we are adding noise with MCA so we can't be
+  ! as strict on the accuracy target.
+  epsilon = epsilon * 16
+#endif
+
   X = (/ 1.1 , 2.2 ,  3.3 /)
   R = (/ 0.1 , 1.2 , -2.3 /)
   Y(:) = X(:) - R(:)
@@ -2835,6 +2842,13 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
 
   epsilon = qmckl_get_numprec_epsilon(context)
 
+#ifdef VFC_CI
+  ! Multplying epsilon by 16 = 2^4 is equivalent to asking 4 significant digits
+  ! less. This makes sense because we are adding noise with MCA so we can't be
+  ! as strict on the accuracy target.
+  epsilon = epsilon * 16
+#endif
+
   n = 100;
   LDP = 10;
 

From c53c98233755fe5b70faa076ae86fa7ea2e0913b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?= 
Date: Tue, 7 Sep 2021 15:24:54 +0200
Subject: [PATCH 27/34] Correct the qmckl_probes documentation

There were a few errors/omissions in the doc section describing the
probes. This have been corrected/made clearer.
---
 org/qmckl.org | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/org/qmckl.org b/org/qmckl.org
index 9927b73..e46b2bd 100644
--- a/org/qmckl.org
+++ b/org/qmckl.org
@@ -285,9 +285,10 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
    as a boolean that you are free to use or ignore.
    Here are these 3 functions :
 
-   - ~qmckl_probe~ : place a normal probe witout any check. Won't do anything when ~vfc_ci~ is disabled.
-   - ~qmckl_probe_check~ : place a probe with a relative check. If ~vfc_ci~ is disabled, this will return the result of a relative check (|val - ref| / ref < accuracy target?).
-   - ~qmckl_probe_check~ : place a probe with an absolute check. If ~vfc_ci~ is disabled, this will return the result of an absolute check (|val - ref| < accuracy target ?)
+   - ~qmckl_probe~ : place a normal probe witout any check. Won't do anything when ~vfc_ci~ is disabled (false is returned).
+   - ~qmckl_probe_check~ : place a probe with an absolute check. If ~vfc_ci~ is disabled, this will return the result of an absolute check (|val - ref| < accuracy target ?). If the check fails, true is returned (false otherwise).
+   - ~qmckl_probe_check_relative~ : place a probe with a relative check. If ~vfc_ci~ is disabled, this will return the result of a relative check (|val - ref| / ref < accuracy target?). If the check fails, true is returned (false otherwise).
+
 
   If you need more details on these functions or their Fortran
   interfaces, have a look at the ~tools/qmckl_probes~ files.
@@ -298,7 +299,7 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
 
   - you should add the new kernel to the ~vfc_tests_config.json~ file, which controls the backends and repetitions for each executable. More details can be found in the ~vfc_ci~ documentation.
 
-  - in order to call the ~qmckl_probes~ functions from Fortran, import the ~qmckl_probes_f~ module. All Fortran functions are appended with the ~_f~ suffix.
+  - in order to call the ~qmckl_probes~ functions from Fortran, import the ~qmckl_probes_f~ module.
 
   - if your tests include some asserts that rely on accurate FP values, you should probably wrap them inside a ~#ifndef VFC_CI~ statement, as the asserts would otherwise risk to fail when executed with the different Verificarlo backends.
 

From b05390a273213c045e5880d5a903b8dbc41fbefb Mon Sep 17 00:00:00 2001
From: Pablo Oliveira 
Date: Wed, 13 Oct 2021 10:31:24 +0200
Subject: [PATCH 28/34] Update determinant in qmckl_sherman_morrison

---
 org/qmckl_sherman_morrison_woodbury.org | 27 +++++++++++++++++++++----
 1 file changed, 23 insertions(+), 4 deletions(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index efb75dc..eaf4477 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -60,6 +60,9 @@ int main() {
    the update is applied as usual and the kernel exits with return code \texttt{QMCKL_SUCCESS}.
    If $1+v_j^TS^{-1}u_j \leq \epsilon$ the update is rejected and the kernel exits with return code \texttt{QMCKL_FAILURE}.
 
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
    #+NAME: qmckl_sherman_morrison_args
    | qmckl_context | context                  | in    | Global state                                         |
    | uint64_t      | Dim                      | in    | Leading dimension of Slater_inv                      |
@@ -68,6 +71,7 @@ int main() {
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |
    | double        | Slater_inv[Dim*Dim]      | inout | Array containing the inverse of a Slater-matrix      |
+   | double*       |  determinant             | inout | det(Slater) the determinant of the Slater-matrix     |
 
 *** Requirements
 
@@ -92,7 +96,8 @@ int main() {
 	  const double* Updates,
 	  const uint64_t* Updates_index,
 	  const double breakdown,
-	  double* Slater_inv);
+	  double* Slater_inv,
+    double* determinant);
     #+end_src
 
 *** C source
@@ -108,7 +113,8 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
                                 const double* Updates,
                                 const uint64_t* Updates_index,
                                 const double breakdown,
-                                double* Slater_inv) {
+                                double* Slater_inv,
+                                double* determinant) {
 
   if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
     return QMCKL_NULL_CONTEXT;
@@ -130,11 +136,16 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
 
     // Denominator
     double den = 1 + C[Updates_index[l] - 1];
+
     if (fabs(den) < breakdown) {
       return QMCKL_FAILURE;
     }
     double iden = 1 / den;
 
+    // Update det(A)
+    if (determinant != NULL)
+      *determinant *= den;
+
     // D = v^T x A^{-1}
     for (uint64_t j = 0; j < Dim; j++) {
       D[j] = Slater_inv[(Updates_index[l] - 1) * Dim + j];
@@ -174,7 +185,7 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
    interface
      integer(c_int32_t) function qmckl_sherman_morrison &
-	 (context, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv) &
+	 (context, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, determinant) &
 	 bind(C)
 
        use, intrinsic :: iso_c_binding
@@ -188,6 +199,7 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
        integer (c_int64_t) , intent(in)         :: Updates_index(N_updates)
        real    (c_double ) , intent(in) , value :: breakdown
        real    (c_double ) , intent(inout)      :: Slater_inv(Dim*Dim)
+       real    (c_double ) , intent(inout)      :: determinant
 
      end function qmckl_sherman_morrison
    end interface
@@ -234,7 +246,14 @@ double Slater_inv5[441] = {-0.054189244668834902, -105.426713929607, -88.4584964
 assert(Updates1 != NULL);
 assert(Updates_index1 != NULL);
 assert(Slater_inv1 != NULL);
-rc = qmckl_sherman_morrison(context, Dim, N_updates1, Updates1, Updates_index1, breakdown, Slater_inv1);
+
+// original determinant of Slater1 (before applying updates)
+double det = 3.407025646103221e-10;
+rc = qmckl_sherman_morrison(context, Dim, N_updates1, Updates1, Updates_index1, breakdown, Slater_inv1, &det);
+
+// Check that the determinant is updated properly
+assert(fabs(det - 4.120398385068217e-10) < 1e-8);
+
 for (unsigned int i = 0; i < Dim; i++) {
   for (unsigned int j = 0; j < Dim; j++) {
     res[i * Dim + j] = 0;

From 94e9b1396369b27f382c708429046cd48fc41af3 Mon Sep 17 00:00:00 2001
From: Pablo Oliveira 
Date: Wed, 13 Oct 2021 10:45:54 +0200
Subject: [PATCH 29/34] Update determinant in Woodbury 2x2 and fix tests

---
 org/qmckl_sherman_morrison_woodbury.org | 30 ++++++++++++++++++-------
 1 file changed, 22 insertions(+), 8 deletions(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index eaf4477..87a27d8 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -27,7 +27,7 @@ int main() {
   #+end_src
 
 * Naïve Sherman-Morrison
-  
+
 ** ~qmckl_sherman_morrison~
    :PROPERTIES:
    :Name:     qmckl_sherman_morrison
@@ -71,7 +71,7 @@ int main() {
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |
    | double        | Slater_inv[Dim*Dim]      | inout | Array containing the inverse of a Slater-matrix      |
-   | double*       |  determinant             | inout | det(Slater) the determinant of the Slater-matrix     |
+   | double*       | determinant             | inout | Determinant of the Slater-matrix                      |
 
 *** Requirements
 
@@ -252,7 +252,7 @@ double det = 3.407025646103221e-10;
 rc = qmckl_sherman_morrison(context, Dim, N_updates1, Updates1, Updates_index1, breakdown, Slater_inv1, &det);
 
 // Check that the determinant is updated properly
-assert(fabs(det - 4.120398385068217e-10) < 1e-8);
+assert(fabs(det + 4.120398385068217e-10) < 1e-15);
 
 for (unsigned int i = 0; i < Dim; i++) {
   for (unsigned int j = 0; j < Dim; j++) {
@@ -298,6 +298,10 @@ assert(rc == QMCKL_SUCCESS);
    $B := 1 + VC$, the $2 \times 2$ matrix that is going to be inverted
    $D := VS^{-1}$, a $2 \times Dim$ matrix
 
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
+
 
    #+NAME: qmckl_woodbury_2_args
    | qmckl_context | context             | in    | Global state                                    |
@@ -306,6 +310,7 @@ assert(rc == QMCKL_SUCCESS);
    | uint64_t      | Updates_index[2]    | in    | Array containing the rank-1 updates             |
    | double        | breakdown           | in    | Break-down parameter on which to fail or not    |
    | double        | Slater_inv[Dim*Dim] | inout | Array containing the inverse of a Slater-matrix |
+   | double*       | determinant         | inout | Determinant of Slater-matrix                    |
 
 *** Requirements
 
@@ -328,7 +333,8 @@ assert(rc == QMCKL_SUCCESS);
 	  const double* Updates,
 	  const uint64_t* Updates_index,
 	  const double breakdown,
-	  double* Slater_inv);
+	  double* Slater_inv,
+    double* determinant);
     #+end_src
 
 *** C source
@@ -343,7 +349,8 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
                                 const double* Updates,
                                 const uint64_t* Updates_index,
                                 const double breakdown,
-                                double* Slater_inv) {
+                                double* Slater_inv,
+                                double* determinant) {
 /*
     C := S^{-1} * U,    dim x 2
     B := 1 + V * C,     2 x 2
@@ -381,6 +388,10 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
     return QMCKL_FAILURE;
   }
 
+  // Update det(S) when passed
+  if (determinant != NULL)
+    *determinant *= det;
+
   // Compute B^{-1} with explicit formula for 2x2 inversion
   double Binv[4], idet = 1.0 / det;
   Binv[0] = idet * B3;
@@ -427,7 +438,7 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
    interface
      integer(c_int32_t) function qmckl_woodbury_2 &
-	 (context, Dim, Updates, Updates_index, breakdown, Slater_inv) &
+	 (context, Dim, Updates, Updates_index, breakdown, Slater_inv, determinant) &
 	 bind(C)
        use, intrinsic :: iso_c_binding
        import
@@ -439,6 +450,7 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
        integer (c_int64_t) , intent(in)         :: Updates_index(2)
        real    (c_double ) , intent(in) , value :: breakdown
        real    (c_double ) , intent(inout)      :: Slater_inv(Dim*Dim)
+       real    (c_double ) , intent(inout)      :: determinant
 
      end function qmckl_woodbury_2
    end interface
@@ -450,7 +462,9 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
 assert(Updates2 != NULL);
 assert(Updates_index2 != NULL);
 assert(Slater_inv2 != NULL);
-rc = qmckl_woodbury_2(context, Dim, Updates2, Updates_index2, breakdown, Slater_inv2);
+det = -1.4432116661319376e-11;
+rc = qmckl_woodbury_2(context, Dim, Updates2, Updates_index2, breakdown, Slater_inv2, &det);
+assert(fabs(det-2.367058141251457e-10) < 1e-15);
 for (unsigned int i = 0; i < Dim; i++) {
   for (unsigned int j = 0; j < Dim; j++) {
     res[i * Dim + j] = 0;
@@ -930,7 +944,7 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
   if (remainder == 2) {
     const double *Updates_2block = &Updates[n_of_3blocks * length_3block];
     const uint64_t *Updates_index_2block = &Updates_index[3 * n_of_3blocks];
-    rc = qmckl_woodbury_2(context, Dim, Updates_2block, Updates_index_2block, breakdown, Slater_inv);
+    rc = qmckl_woodbury_2(context, Dim, Updates_2block, Updates_index_2block, breakdown, Slater_inv, NULL);
     if (rc != 0) { // Send the entire block to slagel_splitting
       uint64_t l = 0;
       (void) qmckl_slagel_splitting(Dim, 2, Updates_2block, Updates_index_2block,

From 9ca88679f96188e63c8a047346c90585cf012a24 Mon Sep 17 00:00:00 2001
From: Pablo Oliveira 
Date: Wed, 13 Oct 2021 10:51:42 +0200
Subject: [PATCH 30/34] Update determinant in Woodbury 3x3

---
 org/qmckl_sherman_morrison_woodbury.org | 25 ++++++++++++++++++++-----
 1 file changed, 20 insertions(+), 5 deletions(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index 87a27d8..96f9e94 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -504,6 +504,11 @@ assert(rc == QMCKL_SUCCESS);
    $B := 1 + VC$, the $3 \times 3$ matrix that is going to be inverted
    $D := VS^{-1}$, a $3 \times Dim$ matrix
 
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
+
+
    #+NAME: qmckl_woodbury_3_args
    | qmckl_context | context             | in    | Global state                                    |
    | uint64_t      | Dim                 | in    | Leading dimension of Slater_inv                 |
@@ -511,6 +516,7 @@ assert(rc == QMCKL_SUCCESS);
    | uint64_t      | Updates_index[3]    | in    | Array containing the rank-1 updates             |
    | double        | breakdown           | in    | Break-down parameter on which to fail or not    |
    | double        | Slater_inv[Dim*Dim] | inout | Array containing the inverse of a Slater-matrix |
+   | double*       | determinant         | inout | Determinant of Slater-matrix                    |
 
 *** Requirements
 
@@ -533,7 +539,8 @@ assert(rc == QMCKL_SUCCESS);
 	  const double* Updates,
 	  const uint64_t* Updates_index,
 	  const double breakdown,
-	  double* Slater_inv);
+	  double* Slater_inv,
+    double* determinant);
     #+end_src
 
 *** C source
@@ -548,7 +555,8 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
                                 const double* Updates,
                                 const uint64_t* Updates_index,
                                 const double breakdown,
-                                double* Slater_inv) {
+                                double* Slater_inv,
+                                double* determinant) {
 /*
     C := S^{-1} * U,    dim x 3
     B := 1 + V * C,     3 x 3
@@ -594,6 +602,10 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
     return QMCKL_FAILURE;
   }
 
+  // Update det(Slater) if passed
+  if (determinant != NULL)
+    *determinant *= det;
+
   // Compute B^{-1} with explicit formula for 3x3 inversion
   double Binv[9], idet = 1.0 / det;
   Binv[0] = (B4 * B8 - B7 * B5) * idet;
@@ -647,7 +659,7 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
    interface
      integer(c_int32_t) function qmckl_woodbury_3 &
-	 (context, Dim, Updates, Updates_index, breakdown, Slater_inv) &
+	 (context, Dim, Updates, Updates_index, breakdown, Slater_inv, determinant) &
 	 bind(C)
        use, intrinsic :: iso_c_binding
        import
@@ -659,6 +671,7 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
        integer (c_int64_t) , intent(in)         :: Updates_index(3)
        real    (c_double ) , intent(in) , value :: breakdown
        real    (c_double ) , intent(inout)      :: Slater_inv(Dim*Dim)
+       real    (c_double ) , intent(inout)      :: determinant
 
      end function qmckl_woodbury_3
    end interface
@@ -670,7 +683,9 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
 assert(Updates3 != NULL);
 assert(Updates_index3 != NULL);
 assert(Slater_inv3_1 != NULL);
-rc = qmckl_woodbury_3(context, Dim, Updates3, Updates_index3, breakdown, Slater_inv3_1);
+det = -1.23743195512859e-09;
+rc = qmckl_woodbury_3(context, Dim, Updates3, Updates_index3, breakdown, Slater_inv3_1, &det);
+assert(fabs(det - 1.602708950725074e-10) < 1e-15);
 for (unsigned int i = 0; i < Dim; i++) {
   for (unsigned int j = 0; j < Dim; j++) {
     res[i * Dim + j] = 0;
@@ -930,7 +945,7 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
     for (uint64_t i = 0; i < n_of_3blocks; i++) {
       const double *Updates_3block = &Updates[i * length_3block];
       const uint64_t *Updates_index_3block = &Updates_index[i * 3];
-      rc = qmckl_woodbury_3(context, Dim, Updates_3block, Updates_index_3block, breakdown, Slater_inv);
+      rc = qmckl_woodbury_3(context, Dim, Updates_3block, Updates_index_3block, breakdown, Slater_inv, NULL);
       if (rc != 0) { // Send the entire block to slagel_splitting
         uint64_t l = 0;
         rc = qmckl_slagel_splitting(Dim, 3, Updates_3block, Updates_index_3block,

From 4f2e8b6d8e500a3e949b05b5bd4dffb362f8a031 Mon Sep 17 00:00:00 2001
From: Pablo Oliveira 
Date: Wed, 13 Oct 2021 11:55:20 +0200
Subject: [PATCH 31/34] Update determinant in the SM+WB splitting versions

---
 org/qmckl_sherman_morrison_woodbury.org | 67 ++++++++++++++++++-------
 1 file changed, 49 insertions(+), 18 deletions(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index 96f9e94..ef95078 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -71,7 +71,7 @@ int main() {
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |
    | double        | Slater_inv[Dim*Dim]      | inout | Array containing the inverse of a Slater-matrix      |
-   | double*       | determinant             | inout | Determinant of the Slater-matrix                      |
+   | double*       | determinant              | inout | Determinant of the Slater-matrix                      |
 
 *** Requirements
 
@@ -728,6 +728,9 @@ assert(rc == QMCKL_SUCCESS);
    case the Slater-matrix that would have resulted from applying the updates is singular and therefore the
    kernel exits with an exit code.
 
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
    #+NAME: qmckl_sherman_morrison_splitting_args
    | qmckl_context | context                  | in    | Global state                                         |
    | uint64_t      | Dim                      | in    | Leading dimension of Slater_inv                      |
@@ -736,6 +739,10 @@ assert(rc == QMCKL_SUCCESS);
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |
    | double        | Slater_inv[Dim*Dim]      | inout | Array containing the inverse of a Slater-matrix      |
+   | double*       | determinant              | inout | Determinant of the Slater-matrix                     |
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
 
 *** Requirements
 
@@ -760,7 +767,8 @@ assert(rc == QMCKL_SUCCESS);
 	  const double* Updates,
 	  const uint64_t* Updates_index,
 	  const double breakdown,
-	  double* Slater_inv);
+	  double* Slater_inv,
+    double* determinant);
     #+end_src
 
 *** C source
@@ -775,7 +783,8 @@ qmckl_exit_code qmckl_sherman_morrison_splitting(const qmckl_context context,
                                 const double* Updates,
                                 const uint64_t* Updates_index,
                                 const double breakdown,
-                                double* Slater_inv) {
+                                double* Slater_inv,
+                                double* determinant) {
 
   if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
     return QMCKL_NULL_CONTEXT;
@@ -786,11 +795,11 @@ qmckl_exit_code qmckl_sherman_morrison_splitting(const qmckl_context context,
   uint64_t later = 0;
 
   (void) qmckl_slagel_splitting(Dim, N_updates, Updates, Updates_index,
-                            breakdown, Slater_inv, later_updates, later_index, &later);
+                            breakdown, Slater_inv, later_updates, later_index, &later, determinant);
 
   if (later > 0) {
     (void) qmckl_sherman_morrison_splitting(context, Dim, later,
-                            later_updates, later_index, breakdown, Slater_inv);
+                            later_updates, later_index, breakdown, Slater_inv, determinant);
   }
 
   return QMCKL_SUCCESS;
@@ -815,7 +824,7 @@ qmckl_exit_code qmckl_sherman_morrison_splitting(const qmckl_context context,
    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
    interface
      integer(c_int32_t) function qmckl_sherman_morrison_splitting &
-	 (context, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv) &
+	 (context, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, determinant) &
 	 bind(C)
        use, intrinsic :: iso_c_binding
        import
@@ -828,6 +837,7 @@ qmckl_exit_code qmckl_sherman_morrison_splitting(const qmckl_context context,
        integer (c_int64_t) , intent(in)         :: Updates_index(N_updates)
        real    (c_double ) , intent(in) , value :: breakdown
        real    (c_double ) , intent(inout)      :: Slater_inv(Dim*Dim)
+       real    (c_double ) , intent(inout)      :: determinant
 
      end function qmckl_sherman_morrison_splitting
    end interface
@@ -839,7 +849,9 @@ qmckl_exit_code qmckl_sherman_morrison_splitting(const qmckl_context context,
 assert(Updates3 != NULL);
 assert(Updates_index3 != NULL);
 assert(Slater_inv3_2 != NULL);
-rc = qmckl_sherman_morrison_splitting(context, Dim, N_updates3, Updates3, Updates_index3, breakdown, Slater_inv3_2);
+det = -1.23743195512859e-09;
+rc = qmckl_sherman_morrison_splitting(context, Dim, N_updates3, Updates3, Updates_index3, breakdown, Slater_inv3_2, &det);
+assert(fabs(det - 1.602708950725074e-10) < 1e-15);
 for (unsigned int i = 0; i < Dim; i++) {
   for (unsigned int j = 0; j < Dim; j++) {
     res[i * Dim + j] = 0;
@@ -877,6 +889,9 @@ assert(rc == QMCKL_SUCCESS);
    with Woodbury 2x2 instead of sending them all to Sherman-Morrison with update splitting. For example, in the case of
    5 updates the updates are applied in 1 block of 3 updates end 1 block of 2 updates.
 
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
    #+NAME: qmckl_sherman_morrison_smw32s_args
    | qmckl_context | context                  | in    | Global state                                         |
    | uint64_t      | Dim                      | in    | Leading dimension of Slater_inv                      |
@@ -885,6 +900,8 @@ assert(rc == QMCKL_SUCCESS);
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |
    | double        | Slater_inv[Dim*Dim]      | inout | Array containing the inverse of a Slater-matrix      |
+   | double*       | determinant              | inout | Determinant of the Slater-matrix                     |
+
 
 *** Requirements
 
@@ -909,7 +926,8 @@ assert(rc == QMCKL_SUCCESS);
 	  const double* Updates,
 	  const uint64_t* Updates_index,
 	  const double breakdown,
-	  double* Slater_inv);
+	  double* Slater_inv,
+    double* determinant);
     #+end_src
 
 *** C source
@@ -924,7 +942,8 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
                                 const double* Updates,
                                 const uint64_t* Updates_index,
                                 const double breakdown,
-                                double* Slater_inv) {
+                                double* Slater_inv,
+                                double* determinant) {
 
   if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
     return QMCKL_NULL_CONTEXT;
@@ -945,11 +964,11 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
     for (uint64_t i = 0; i < n_of_3blocks; i++) {
       const double *Updates_3block = &Updates[i * length_3block];
       const uint64_t *Updates_index_3block = &Updates_index[i * 3];
-      rc = qmckl_woodbury_3(context, Dim, Updates_3block, Updates_index_3block, breakdown, Slater_inv, NULL);
+      rc = qmckl_woodbury_3(context, Dim, Updates_3block, Updates_index_3block, breakdown, Slater_inv, determinant);
       if (rc != 0) { // Send the entire block to slagel_splitting
         uint64_t l = 0;
         rc = qmckl_slagel_splitting(Dim, 3, Updates_3block, Updates_index_3block,
-                breakdown, Slater_inv, later_updates + (Dim * later), later_index + later, &l);
+                breakdown, Slater_inv, later_updates + (Dim * later), later_index + later, &l, determinant);
         later = later + l;
       }
     }
@@ -959,11 +978,11 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
   if (remainder == 2) {
     const double *Updates_2block = &Updates[n_of_3blocks * length_3block];
     const uint64_t *Updates_index_2block = &Updates_index[3 * n_of_3blocks];
-    rc = qmckl_woodbury_2(context, Dim, Updates_2block, Updates_index_2block, breakdown, Slater_inv, NULL);
+    rc = qmckl_woodbury_2(context, Dim, Updates_2block, Updates_index_2block, breakdown, Slater_inv, determinant);
     if (rc != 0) { // Send the entire block to slagel_splitting
       uint64_t l = 0;
       (void) qmckl_slagel_splitting(Dim, 2, Updates_2block, Updates_index_2block,
-              breakdown, Slater_inv, later_updates + (Dim * later), later_index + later, &l);
+              breakdown, Slater_inv, later_updates + (Dim * later), later_index + later, &l, determinant);
       later = later + l;
     }
   }
@@ -973,12 +992,12 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
     const uint64_t *Updates_index_1block = &Updates_index[3 * n_of_3blocks];
     uint64_t l = 0;
     (void) qmckl_slagel_splitting(Dim, 1, Updates_1block, Updates_index_1block,
-            breakdown, Slater_inv, later_updates + (Dim * later), later_index + later, &l);
+            breakdown, Slater_inv, later_updates + (Dim * later), later_index + later, &l, determinant);
     later = later + l;
   }
 
   if (later > 0) {
-    (void) qmckl_sherman_morrison_splitting(context, Dim, later, later_updates, later_index, breakdown, Slater_inv);
+    (void) qmckl_sherman_morrison_splitting(context, Dim, later, later_updates, later_index, breakdown, Slater_inv, determinant);
   }
   return QMCKL_SUCCESS;
 }
@@ -1026,7 +1045,10 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
 assert(Updates5 != NULL);
 assert(Updates_index5 != NULL);
 assert(Slater_inv5 != NULL);
-rc = qmckl_sherman_morrison_smw32s(context, Dim, N_updates5, Updates5, Updates_index5, breakdown, Slater_inv5);
+det = -3.186005284713128e-10;
+rc = qmckl_sherman_morrison_smw32s(context, Dim, N_updates5, Updates5, Updates_index5, breakdown, Slater_inv5, &det);
+assert(fabs(det + 5.260200118412903e-10) < 1e-15);
+
 for (unsigned int i = 0; i < Dim; i++) {
   for (unsigned int j = 0; j < Dim; j++) {
     res[i * Dim + j] = 0;
@@ -1070,6 +1092,9 @@ These functions can only be used internally by the kernels in this module.
    as $\frac{1}{2}u_j$. One half is applied immediately, the other half will be applied at the end of the algorithm, using vectors
    $u_{j'}=\frac{1}{2}u_j$ and $v_{j'}^T=v_{j}^T$, which are stored in the array \texttt{later_updates}.
 
+   If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
+   from applying the updates to the original matrix.
+
    #+NAME: qmckl_slagel_splitting_args
    | uint64_t | Dim                            | in    | Leading dimension of Slater_inv                               |
    | uint64_t | N_updates                      | in    | Number of rank-1 updates to be applied to Slater_inv          |
@@ -1080,6 +1105,7 @@ These functions can only be used internally by the kernels in this module.
    | double   | later_updates[Dim * N_updates] | inout | Array containing the split updates for later                  |
    | uint64_t | later_index[N_updates]         | inout | Array containing the positions of the split updates for later |
    | uint64_t | later                          | inout | Number of split updates for later                             |
+   | double*  | determinant                    | inout | Determinant of the Slater-matrix                              |
 
 
 *** Requirements
@@ -1109,7 +1135,8 @@ These functions can only be used internally by the kernels in this module.
 	  double* Slater_inv,
 	  double* later_updates,
 	  uint64_t* later_index,
-	  uint64_t* later );
+	  uint64_t* later,
+    double* determinant );
     #+end_src
 
 *** C source
@@ -1127,7 +1154,8 @@ qmckl_exit_code qmckl_slagel_splitting(uint64_t Dim,
                                               double *Slater_inv,
                                               double *later_updates,
                                               uint64_t *later_index,
-                                              uint64_t *later) {
+                                              uint64_t *later,
+                                              double *determinant) {
 // #ifdef DEBUG //  Leave commented out since debugging information is not yet implemented in QMCkl.
 //   std::cerr << "Called slagel_splitting with " << N_updates << " updates" << std::endl;
 // #endif
@@ -1162,6 +1190,9 @@ qmckl_exit_code qmckl_slagel_splitting(uint64_t Dim,
     } // From here onwards we continue with applying the first havel of the update to Slater_inv
     double iden = 1 / den;
 
+    if (determinant != NULL)
+      *determinant *= den;
+
     // D = v^T x S^{-1}
     for (uint64_t j = 0; j < Dim; j++) {
       D[j] = Slater_inv[(Updates_index[l] - 1) * Dim + j];

From 1859a2b6d71042911903fecc7ecc2a178d7ae7a0 Mon Sep 17 00:00:00 2001
From: Pablo Oliveira 
Date: Wed, 13 Oct 2021 12:03:18 +0200
Subject: [PATCH 32/34] Fix indentation

---
 org/qmckl_sherman_morrison_woodbury.org | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index ef95078..72e9615 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -66,12 +66,12 @@ int main() {
    #+NAME: qmckl_sherman_morrison_args
    | qmckl_context | context                  | in    | Global state                                         |
    | uint64_t      | Dim                      | in    | Leading dimension of Slater_inv                      |
-   | uint64_t      | N_updates                | in    | Number of rank-1 updates to be applied to Slater_inv |
+  | uint64_t      | N_updates                | in    | Number of rank-1 updates to be applied to Slater_inv |
    | double        | Updates[N_updates*Dim]   | in    | Array containing the updates                         |
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |
    | double        | Slater_inv[Dim*Dim]      | inout | Array containing the inverse of a Slater-matrix      |
-   | double*       | determinant              | inout | Determinant of the Slater-matrix                      |
+   | double*       | determinant              | inout | Determinant of the Slater-matrix                     |
 
 *** Requirements
 
@@ -97,7 +97,7 @@ int main() {
 	  const uint64_t* Updates_index,
 	  const double breakdown,
 	  double* Slater_inv,
-    double* determinant);
+	  double* determinant);
     #+end_src
 
 *** C source
@@ -334,7 +334,7 @@ assert(rc == QMCKL_SUCCESS);
 	  const uint64_t* Updates_index,
 	  const double breakdown,
 	  double* Slater_inv,
-    double* determinant);
+	  double* determinant);
     #+end_src
 
 *** C source
@@ -768,7 +768,7 @@ assert(rc == QMCKL_SUCCESS);
 	  const uint64_t* Updates_index,
 	  const double breakdown,
 	  double* Slater_inv,
-    double* determinant);
+	  double* determinant);
     #+end_src
 
 *** C source
@@ -927,7 +927,7 @@ assert(rc == QMCKL_SUCCESS);
 	  const uint64_t* Updates_index,
 	  const double breakdown,
 	  double* Slater_inv,
-    double* determinant);
+	  double* determinant);
     #+end_src
 
 *** C source
@@ -1136,7 +1136,7 @@ These functions can only be used internally by the kernels in this module.
 	  double* later_updates,
 	  uint64_t* later_index,
 	  uint64_t* later,
-    double* determinant );
+	  double* determinant);
     #+end_src
 
 *** C source

From 9c2d01b33d4c972945ffc198a4aa853f70b4ef1e Mon Sep 17 00:00:00 2001
From: Pablo de Oliveira Castro 
Date: Wed, 13 Oct 2021 13:19:35 +0200
Subject: [PATCH 33/34] Typo in orgmode table

---
 org/qmckl_sherman_morrison_woodbury.org | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/org/qmckl_sherman_morrison_woodbury.org b/org/qmckl_sherman_morrison_woodbury.org
index 72e9615..adc9ee0 100644
--- a/org/qmckl_sherman_morrison_woodbury.org
+++ b/org/qmckl_sherman_morrison_woodbury.org
@@ -66,7 +66,7 @@ int main() {
    #+NAME: qmckl_sherman_morrison_args
    | qmckl_context | context                  | in    | Global state                                         |
    | uint64_t      | Dim                      | in    | Leading dimension of Slater_inv                      |
-  | uint64_t      | N_updates                | in    | Number of rank-1 updates to be applied to Slater_inv |
+   | uint64_t      | N_updates                | in    | Number of rank-1 updates to be applied to Slater_inv |
    | double        | Updates[N_updates*Dim]   | in    | Array containing the updates                         |
    | uint64_t      | Updates_index[N_updates] | in    | Array containing the rank-1 updates                  |
    | double        | breakdown                | in    | Break-down parameter on which to fail or not         |

From 3cf86817f4ec8be09923b8a67dd372f8f7934e26 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Aur=C3=A9lien=20Delval?=
 <32074290+PurplePachyderm@users.noreply.github.com>
Date: Wed, 13 Oct 2021 15:01:23 +0200
Subject: [PATCH 34/34] Fix merge issue with qmckl_ao.org

---
 org/qmckl_ao.org | 66 +++++++++++++++++++-----------------------------
 1 file changed, 26 insertions(+), 40 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 377908c..c18d3fa 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -65,7 +65,6 @@ gradients and Laplacian of the atomic basis functions.
 #include "chbrclf.h"
 #include "qmckl_ao_private_func.h"
 
-
 int main() {
     qmckl_context context;
     context = qmckl_context_create();
@@ -119,7 +118,6 @@ int main() {
 
   Computed data:
 
-  
   |--------------------------+----------------------------+-----------------------------------------------------------------------------------------------|
   | ~coefficient_normalized~ | ~[prim_num]~               | Normalized primitive coefficients                                                             |
   | ~nucleus_prim_index~     | ~[nucl_num]~               | Index of the first primitive for each nucleus                                                 |
@@ -138,7 +136,6 @@ int main() {
   | ~coeff_norm_sorted~      | ~[prim_num]~               | Array of normalized coefficients for sorted primitives                                        |
   | ~prim_factor_sorted~     | ~[prim_num]~               | Normalization factors of the sorted primtives                                                 |
 
-
    For H_2 with the following basis set,
 
    #+NAME: basis
@@ -1747,7 +1744,6 @@ end function qmckl_ao_gaussian_vgl
    # Test
    #+begin_src f90 :tangle (eval f_test)
 integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
-
   use qmckl
   use qmckl_probes_f
 
@@ -1783,6 +1779,7 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
      A(i) = 0.0013 * dble(ishft(1,i))
   end do
 
+
   test_qmckl_ao_gaussian_vgl = &
        qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
 
@@ -1837,8 +1834,8 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
 #endif
 
   test_qmckl_ao_gaussian_vgl = 0
-  deallocate(VGL)
 
+  deallocate(VGL)
 end function test_qmckl_ao_gaussian_vgl
    #+end_src
 
@@ -1959,7 +1956,6 @@ qmckl_exit_code qmckl_provide_ao_basis_primitive_vgl(qmckl_context context)
    :END:
 
     #+NAME: qmckl_ao_basis_primitive_gaussian_vgl_args
-
    | qmckl_context | context                              | in  | Global state                                     |
    | int64_t       | prim_num                             | in  | Number of primitives                             |
    | int64_t       | elec_num                             | in  | Number of electrons                              |
@@ -1969,7 +1965,7 @@ qmckl_exit_code qmckl_provide_ao_basis_primitive_vgl(qmckl_context context)
    | double        | nucl_coord[3][elec_num]              | in  | Nuclear coordinates                              |
    | double        | expo[prim_num]                       | in  | Exponents of the primitives                      |
    | double        | primitive_vgl[5][elec_num][prim_num] | out | Value, gradients and Laplacian of the primitives |
-    
+
     #+begin_src f90 :comments org :tangle (eval f) :noweb yes
 integer function qmckl_compute_ao_basis_primitive_gaussian_vgl_f(context, &
      prim_num, elec_num, nucl_num, &
@@ -1998,11 +1994,10 @@ integer function qmckl_compute_ao_basis_primitive_gaussian_vgl_f(context, &
   do inucl=1,nucl_num
      ! C is zero-based, so shift bounds by one
      do iprim = nucleus_prim_index(inucl)+1, nucleus_prim_index(inucl+1)
-
         do ielec = 1, elec_num
-           x = elec_coord(ielec,1) - nucl_coord(inucl,1) 
-           y = elec_coord(ielec,2) - nucl_coord(inucl,2) 
-           z = elec_coord(ielec,3) - nucl_coord(inucl,3) 
+           x = elec_coord(ielec,1) - nucl_coord(inucl,1)
+           y = elec_coord(ielec,2) - nucl_coord(inucl,2)
+           z = elec_coord(ielec,3) - nucl_coord(inucl,3)
 
            r2 = x*x + y*y + z*z
            ar2 = expo(iprim)*r2
@@ -2012,7 +2007,7 @@ integer function qmckl_compute_ao_basis_primitive_gaussian_vgl_f(context, &
            two_a = -2.d0 * expo(iprim) * v
 
            primitive_vgl(iprim, ielec, 1) = v
-           primitive_vgl(iprim, ielec, 2) = two_a * x 
+           primitive_vgl(iprim, ielec, 2) = two_a * x
            primitive_vgl(iprim, ielec, 3) = two_a * y
            primitive_vgl(iprim, ielec, 4) = two_a * z
            primitive_vgl(iprim, ielec, 5) = two_a * (3.d0 - 2.d0*ar2)
@@ -2160,7 +2155,7 @@ assert( fabs(prim_vgl[1][26][7] - (-7.5014974095310560E-004)) < 1.e-14 );
 assert( fabs(prim_vgl[2][26][7] - (-3.8250692897610380E-003)) < 1.e-14 );
 assert( fabs(prim_vgl[3][26][7] - ( 3.4950559194080275E-003)) < 1.e-14 );
 assert( fabs(prim_vgl[4][26][7] - ( 2.0392163767356572E-002)) < 1.e-14 );
-  
+
 }
 
 
@@ -2173,14 +2168,13 @@ assert( fabs(prim_vgl[4][26][7] - ( 2.0392163767356572E-002)) < 1.e-14 );
 // l : primitives
 
 k=0;
-
 for (j=0 ; j