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Clean configure

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This commit is contained in:
Anthony Scemama 2021-06-03 01:32:50 +02:00
parent d29f3a039b
commit 36293d892e
10 changed files with 43 additions and 45 deletions
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40
.gitignore vendored
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@ -1,17 +1,10 @@
*.la
*.lo
.deps/
compile
depcomp
generated.mk
stamp-h1
libtool
ltmain.sh
missing
m4/libtool.m4
m4/ltoptions.m4
m4/ltsugar.m4
m4/ltversion.m4
m4/lt~obsolete.m4
.dirstamp
.libs
Makefile
Makefile.in
aclocal.m4
autom4te.cache/
config.guess
@ -19,13 +12,20 @@ config.log
config.status
config.sub
configure
install-sh
qmckl.pc
Makefile.in
test-driver
.libs
.dirstamp
*.la
*.lo
generated.mk
m4/libtool.m4
m4/ltoptions.m4
m4/ltsugar.m4
m4/ltversion.m4
m4/lt~obsolete.m4
qmckl-*.tar.gz
qmckl.mod
qmckl.pc
stamp-h1
tools/compile
tools/depcomp
tools/install-sh
tools/libtool
tools/ltmain.sh
tools/missing
tools/test-driver

2
Makefile.am
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@ -159,7 +159,7 @@ tests/chbrclf.h: $(qmckl_h)
generated.mk: $(ORG_FILES)
python $(srcdir)/tools/build_makefile.py
$(PYTHON) $(srcdir)/tools/build_makefile.py
cppcheck: cppcheck.out

21
configure.ac
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@ -38,13 +38,13 @@ AC_PREREQ([2.69])
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)
AM_INIT_AUTOMAKE([subdir-objects color-tests parallel-tests silent-rules 1.11])
AM_MAINTAINER_MODE()
LT_INIT
AC_CONFIG_SRCDIR([Makefile.in])
AC_CONFIG_HEADERS([include/config.h])
AC_CONFIG_MACRO_DIR([m4])
#AM_MAINTAINER_MODE
VERSION_MAJOR=`echo ${PACKAGE_VERSION} | cut -d. -f1`
VERSION_MINOR=`echo ${PACKAGE_VERSION} | cut -d. -f2`
@ -64,6 +64,9 @@ AC_LANG(C)
# Checks for programs.
AC_PROG_CC
# Make sure the c compiler supports C99
m4_version_prereq([2.70],[], [AC_PROG_CC_C99])
AS_IF([test "$ac_cv_prog_cc_c99" = "no"], [AC_MSG_ERROR([The compiler does not support C99])])
AC_PROG_CC_C_O
AC_PROG_FC
AC_PROG_FC_C_O
@ -72,13 +75,10 @@ AC_FC_FREEFORM
AC_PROG_LIBTOOL
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_CC_C99
PKG_PROG_PKG_CONFIG([])
PKG_LIBS=""
PKG_CFLAGS=""
AC_SUBST([HAS_CPPCHECK])
# Checks for libraries.
AC_FC_LIBRARY_LDFLAGS
@ -178,15 +178,8 @@ if test "x${QMCKL_DEVEL}" != "x"; then
QMCKL_DEVEL=" -- Developer mode"
AC_PROG_AWK
AC_CHECK_PROGS([PYTHON],[python python3 python2],[no])
if test x${PYTHON} == xno ; then
AC_MSG_ERROR([
--------------------------------------------
Error: Python is required to build makefiles
--------------------------------------------
])
fi
python ${srcdir}/tools/build_makefile.py
AM_PATH_PYTHON
${PYTHON} ${srcdir}/tools/build_makefile.py
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
if test x${EMACS} == xno ; then
@ -211,6 +204,8 @@ LIBS="${LAPACK_LIBS} ${BLAS_LIBS} ${LIBS}"
PKG_LIBS="${PKG_LIBS} ${LIBS}"
AC_SUBST([PKG_LIBS])
AC_SUBST([PKG_CFLAGS])
AC_SUBST([HAS_CPPCHECK])
AC_CONFIG_FILES([Makefile
pkgconfig/qmckl.pc

1
org/.gitignore vendored
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@ -1,2 +1,3 @@
ltximg/
*.tangled
*.exported

2
org/qmckl_ao.org
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@ -94,6 +94,7 @@ int main() {
| ~shell_factor~ | ~[shell_num]~ | Normalization factor for each shell |
| ~exponent~ | ~[prim_num]~ | Array of exponents |
| ~coefficient~ | ~[prim_num]~ | Array of coefficients |
| ~prim_factor~ | ~[prim_num]~ | Normalization factors of the primtives |
For H_2 with the following basis set,
@ -1661,7 +1662,6 @@ end function test_qmckl_ao_gaussian_vgl
#+end_src
** TODO Slater basis functions
** TODO Radial functions on a grid
* Combining radial and polynomial parts
* End of files :noexport:

6
pkgconfig/qmckl.pc.in
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@ -7,7 +7,7 @@ Name: @PACKAGE_NAME@
Description: Quantum Monte Carlo kernel library
URL: https://github.com/trex-coe/qmckl
Version: @PACKAGE_VERSION@
Cflags: -I${includedir} @PKG_CFLAGS@
Libs: -L${libdir} -lqmckl @PKG_LIBS@
Requires: @PKG_BLAS@
Cflags: -I${includedir}
Libs: -L${libdir} -lqmckl
Libs.private: @PKG_LIBS@

5
tools/build_doc.sh
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@ -19,7 +19,7 @@ function extract_doc()
html=${DOCS}/html/$(basename ${org%.org}.html)
text=${DOCS}/text/$(basename ${org%.org}.txt)
./missing emacs --batch \
./tools/missing emacs --batch \
--load ${HTMLIZE} \
--load ${CONFIG_DOC} \
${org} \
@ -34,8 +34,9 @@ function extract_doc()
for i in $@
do
exported=${i%.org}.exported
exported=$(dirname $exported)/.$(basename $exported)
NOW=$(date +"%m%d%H%M.%S")
extract_doc ${i} &> $exported
extract_doc ${i} > $exported
# Make log file older than the exported files
touch -t ${NOW} $exported

4
tools/build_makefile.py
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@ -33,8 +33,8 @@ def main():
for org in glob("org/*.org"):
i = org.split('/')[-1].rsplit(".",1)[0]
tangled = "org/"+i+".tangled"
exported = "org/"+i+".exported"
tangled = "org/."+i+".tangled"
exported = "org/."+i+".exported"
c_test_x = "tests/test_"+i
c_test_o = "tests/test_"+i+".$(OBJEXT)"
f_test_o = "tests/test_"+i+"_f.$(OBJEXT)"

5
tools/tangle.sh
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@ -24,7 +24,7 @@ function tangle()
elif [[ ${org_file} -ot ${f_file} ]] ; then
return
fi
./missing \
./tools/missing \
emacs --batch ${org_file} \
--load=${PWD}/tools/config_tangle.el \
-f org-babel-tangle
@ -33,8 +33,9 @@ function tangle()
for i in $@
do
tangled=${i%.org}.tangled
tangled=$(dirname $tangled)/.$(basename $tangled)
NOW=$(date +"%m%d%H%M.%S")
tangle ${i} &> $tangled
tangle ${i} > $tangled
# Make log file older than the tangled files
touch -t ${NOW} $tangled

2
tools/theme.setup
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@ -6,7 +6,7 @@
#+INFOJS_OPT: toc:t mouse:underline path:org-info.js
#+HTML_HEAD: <link rel="stylesheet" title="Standard" href="qmckl.css" type="text/css" />
#+STARTUP: align fold nodlcheck hidestars oddeven lognotestate
#+STARTUP: align fold nodlcheck hidestars oddeven lognotestate latexpreview
#+AUTHOR: TREX CoE
#+LANGUAGE: en