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qmckl/configure.ac

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# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
#
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# QMCkl - Quantum Monte Carlo kernel library
#
# BSD 3-Clause License
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#
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# Copyright (c) 2020, TREX Center of Excellence
# All rights reserved.
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#
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# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
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#
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# 1. Redistributions of source code must retain the above copyright notice, this
# list of conditions and the following disclaimer.
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#
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# 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.
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#
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# 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.
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#
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# 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
# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
# FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
# DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
# SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
# CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
# 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.
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AC_PREREQ([2.69])
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AC_INIT([qmckl],[0.1.1],[https://github.com/TREX-CoE/qmckl/issues],[],[https://trex-coe.github.io/qmckl/index.html])
AC_CONFIG_AUX_DIR([tools])
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AM_INIT_AUTOMAKE([subdir-objects color-tests parallel-tests silent-rules 1.11])
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# Activate developer mode when the source is the git repository.
# Otherwise, it is the source distribution and the developer mode should not be activated.
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AS_IF([test -d ${srcdir}/.git],
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[enable_maintainer_mode="yes"],
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[enable_maintainer_mode="no"]
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)
AC_ARG_WITH(ifort, [AS_HELP_STRING([--with-ifort],[Use Intel Fortran compiler])], with_ifort=$withval, with_ifort=no)
AS_IF([test "$with_ifort" == "yes"], [
FC=ifort
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FCFLAGS="-xHost -ip -Ofast -ftz -finline -g -mkl=sequential" ])
AC_ARG_WITH(icc, [AS_HELP_STRING([--with-icc],[Use Intel C compiler])], with_icc=$withval, with_icc=no)
AS_IF([test "$with_icc" == "yes"], [
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CC=icc
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CFLAGS="-xHost -ip -Ofast -ftz -finline -g -mkl=sequential" ])
AS_IF([test "$with_icc"."$with_ifort" == "yes.yes"], [
ax_blas_ok="yes"
ax_lapack_ok="yes"
BLAS_LIBS=""
LAPACK_LIBS=""])
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AM_PROG_AR
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AM_MAINTAINER_MODE()
LT_INIT
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AC_CONFIG_SRCDIR([configure.ac])
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AC_CONFIG_HEADERS([include/config.h])
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AC_CONFIG_MACRO_DIR([m4])
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VERSION_MAJOR=`echo ${PACKAGE_VERSION} | cut -d. -f1`
VERSION_MINOR=`echo ${PACKAGE_VERSION} | cut -d. -f2`
VERSION_PATCH=`echo ${PACKAGE_VERSION} | cut -d. -f3 | cut -d- -f1`
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AC_DEFINE_UNQUOTED([QMCKL_VERSION_MAJOR], [$VERSION_MAJOR], [major version])
AC_DEFINE_UNQUOTED([QMCKL_VERSION_MINOR], [$VERSION_MINOR], [minor version])
AC_DEFINE_UNQUOTED([QMCKL_VERSION_PATCH], [$VERSION_PATCH], [patch version])
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AC_SUBST([VERSION_MAJOR])
AC_SUBST([VERSION_MINOR])
AC_SUBST([VERSION_PATCH])
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#AM_SILENT_RULES(yes)
#AC_SUBST(SHARED_VERSION_INFO)
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#AC_ENABLE_SHARED([no]) dnl shared libs cause too many headaches to be default
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AC_LANG(C)
# Checks for programs.
AC_PROG_CC
AC_PROG_F77
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# Make sure the c compiler supports C99
m4_version_prereq([2.70],[], [AC_PROG_CC_C99])
AS_IF([test "$ac_cv_prog_cc_c99" = "no"], [AC_MSG_ERROR([The compiler does not support C99])])
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AC_PROG_CC_C_O
AC_PROG_FC
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AC_PROG_FC_C_O
AC_FC_PP_DEFINE
AC_FC_SRCEXT([F90])
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AC_FC_FREEFORM
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LT_INIT
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AC_PROG_INSTALL
AC_PROG_LN_S
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PKG_PROG_PKG_CONFIG([])
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PKG_LIBS=""
PKG_CFLAGS=""
# Checks for libraries.
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AC_FC_LIBRARY_LDFLAGS
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AC_CHECK_LIB([m], [sqrt])
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AC_CHECK_HEADERS([assert.h errno.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h])
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## pthread
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AC_CHECK_LIB([pthread], [pthread_create])
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# OpenMP
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AC_ARG_WITH(openmp, [AS_HELP_STRING([--with-openmp],[activate OpenMP])], with_omp=$withval, with_omp=no)
if test "x$with_omp" = xyes; then
AC_DEFINE([HAVE_OPENMP], [1], [Define to use OpenMP threading.])
AX_OPENMP([],
[AC_MSG_ERROR([Could not find OpenMP flags; configure with --without-openmp])])
CFLAGS="${CFLAGS} ${OPENMP_CFLAGS}"
FCFLAGS="${CFLAGS} ${OPENMP_FCFLAGS}"
fi
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# CHAMELEON
AC_ARG_WITH(chameleon,
AS_HELP_STRING([--without-chameleon],
[Do not use Chameleon. Default: auto-detect]), [
case "$with_chameleon" in
no)
: ;;
yes)
PKG_CHECK_MODULES([LIBCHAMELEON],[chameleon >= 1.0.0],
[PKG_CFLAGS="$PKG_CFLAGS $LIBCHAMELEON_CFLAGS"
PKG_LIBS="$PKG_LIBS $LIBCHAMELEON_LIBS"]
,[
## something went wrong.
## try to find the package without pkg-config
## check that the library is actually new enough.
## by testing for a 1.0.0+ function which we use
AC_CHECK_LIB(chameleon,CHAMELEON_finalize,[LIBCHAMELEON_LIBS="-lchameleon"])
])
AH_TEMPLATE(HAVE_CHAMELEON,[Chameleon support is available])
;;
*)
if test ! -d "$withval" ; then
AC_MSG_ERROR([--with-chameleon path does not point to a directory])
fi
LIBCHAMELEON_LIBS="-L$with_chameleon/lib -lchameleon -lchameleon_starpu -lhqr -lcoreblas"
LIBCHAMELEON_CFLAGS="-I$with_chameleon/include $CFLAGS"
LIBCHAMELEON_CPPFLAGS="-I$with_chameleon/include $CPPFLAGS"
esac
])
if test "x$LIBCHAMELEON_LIBS" != "x" ; then
LIBS="$LIBS $LIBCHAMELEON_LIBS"
CFLAGS="$CFLAGS $LIBCHAMELEON_CFLAGS"
CPPFLAGS="$CPPFLAGS $LIBCHAMELEON_CPPFLAGS"
AC_CHECK_HEADERS([chameleon.h], [], [AC_MSG_ERROR("chamelon.h not found")])
AC_DEFINE_UNQUOTED([HAVE_CHAMELEON],1,[CHAMELEON support is available])
fi
#AS_IF([test "x$with_chameleon" != "xno"], [
#])
AC_MSG_NOTICE([CHAMELEON library support: ${with_CHAMELEON:=auto} ${LIBCHAMELEON_PATH} ${LIBCHAMELEON_LIBS}])
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# TREXIO
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AC_ARG_WITH(trexio, [AS_HELP_STRING([--without-trexio],[disable support for TREXIO])],
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with_trexio=$withval, with_trexio=yes)
AS_IF([test "x$with_trexio" != xno], [
AC_DEFINE([HAVE_TREXIO], [1], [Define if your have libtrexio])
ARGS="${ARGS} trexio"
AC_CHECK_LIB([trexio], [trexio_open],
[],
[AS_IF([test "x$with_trexio" != xcheck],
[PKG_CHECK_MODULES([TREXIO], [trexio]) ])
])
])
PKG_CFLAGS="$PKG_CFLAGS $TREXIO_CFLAGS"
PKG_LIBS="$PKG_LIBS $TREXIO_LIBS"
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## BLAS
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AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])])
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## LAPACK
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AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])])
AS_IF([test "$BLAS_LIBS" == "$LAPACK_LIBS"], [BLAS_LIBS=""])
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# Specific options required with some compilers
case $FC in
ifort*)
FCFLAGS="$FCFLAGS -nofor-main"
;;
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#gfortran*)
# # Order is important here
# FCFLAGS="-cpp $FCFLAGS"
# ;;
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esac
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# Options.
AC_ARG_ENABLE(hpc, [AS_HELP_STRING([--enable-hpc],[Use HPC-optimized functions])], HAVE_HPC=$enableval, HAVE_HPC=no)
AS_IF([test "$HAVE_HPC" = "yes"], [
AC_DEFINE([HAVE_HPC], [1], [If defined, activate HPC routines])
])
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AC_ARG_ENABLE(debug, [AS_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
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if test "$ok" = "yes"; then
if test "$GCC" = "yes"; then
CFLAGS="$CFLAGS \
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-g -Wall -W -Wbad-function-cast -Wcast-qual -Warray-bounds -Wdisabled-optimization \
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-Wpointer-arith -Wcast-align -Wpedantic -Wextra -Walloc-zero -Werror \
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"
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fi
if test "$GFC" = "yes"; then
FCFLAGS="$FCFLAGS \
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-g -fcheck=all -Waliasing -Wampersand -Wconversion \
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-Wsurprising -ffpe-trap=zero,overflow,underflow \
-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan"
fi
if test "$FC" = "ifort"; then
FCFLAGS="$FCFLAGS \
-traceback -check all -debug all -fpe-all=0 -implicitnone"
fi
AC_DEFINE(DEBUG,1,[Define to turn on debugging checks])
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ARGS="${ARGS} debug"
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fi
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AC_ARG_ENABLE(malloc-trace, [AS_HELP_STRING([--enable-malloc-trace],[use debug malloc/free])], ok=$enableval, ok=no)
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if test "$ok" = "yes"; then
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AC_DEFINE(MALLOC_TRACE,"malloc_trace.dat",[Define to use debugging malloc/free])
ARGS="${ARGS} malloc-trace"
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fi
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AC_ARG_ENABLE(prof, [AS_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no)
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if test "$ok" = "yes"; then
CFLAGS="${CFLAGS} -pg"
AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool])
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ARGS="${ARGS} prof"
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fi
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AC_ARG_WITH(efence, [AS_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no)
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if test "$ok" = "yes"; then
AC_CHECK_LIB(efence, malloc)
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ARGS="${ARGS} efence"
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fi
# Checks for header files.
## qmckl
AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
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# Checks for typedefs, structures, and compiler characteristics.
## qmckl
AC_CHECK_HEADER_STDBOOL
AC_TYPE_INT32_T
AC_TYPE_INT64_T
AC_TYPE_SIZE_T
AC_TYPE_UINT32_T
AC_TYPE_UINT64_T
# Checks for library functions.
## qmckl
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 <scemama@irsamc.ups-tlse.fr>
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# AC_FUNC_MALLOC
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AC_CHECK_FUNCS([memset strerror])
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# Development mode
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if test "x$enable_maintainer_mode" == "xyes" ; then
QMCKL_DEVEL=" -- Developer mode"
else
QMCKL_DEVEL=""
fi
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AM_CONDITIONAL([QMCKL_DEVEL],[test "x$QMCKL_DEVEL" != x])
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if test "x${QMCKL_DEVEL}" != "x"; then
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AC_PROG_AWK
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AM_PATH_PYTHON
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AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
if test x${EMACS} == xno ; then
AC_MSG_ERROR([
--------------------------------------
Error: Emacs is required for org-mode.
--------------------------------------
])
fi
AC_CHECK_PROGS([HAS_CPPCHECK],[cppcheck],[no])
if test x${HAS_CPPCHECK} != xno ; then
HAS_CPPCHECK=1
fi
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fi
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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 <scemama@irsamc.ups-tlse.fr>
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# 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])
if test "$FC" = "verificarlo-f"; then
AC_MSG_NOTICE(verificarlo-f detected)
# Arguments order is important here
FCFLAGS="-Mpreprocess $FCFLAGS"
fi
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#PKG-CONFIG
#mkl-dynamic-lp64-seq
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PKG_LIBS="$PKG_LIBS $LIBS"
LIBS="$BLAS_LIBS $LAPACK_LIBS $PKG_LIBS"
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CFLAGS="$CFLAGS $PKG_CFLAGS"
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AC_SUBST([PKG_LIBS])
AC_SUBST([PKG_CFLAGS])
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AC_SUBST([HAS_CPPCHECK])
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AC_CONFIG_FILES([Makefile
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pkgconfig/qmckl.pc
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])
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AC_OUTPUT
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echo \
"-------------------------------------------------
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${PACKAGE_NAME} Version ${PACKAGE_VERSION} ${QMCKL_DEVEL}
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Prefix: '${prefix}'.
CC..............: ${CC}
CPPFLAGS........: ${CPPFLAGS}
CFLAGS..........: ${CFLAGS}
FC..............: ${FC}
FCLAGS..........: ${FCFLAGS}
LDFLAGS:........: ${LDFLAGS}
LIBS............: ${LIBS}
USE CHAMELEON...: ${with_chameleon}
HPC version.....: ${HAVE_HPC}
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Package features:
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${ARGS}
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Now type 'make @<:@<target>@:>@'
where the optional <target> is:
all - build the library
check - run tests
install - install ${PACKAGE_NAME}
--------------------------------------------------"