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Added configure scripts

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This commit is contained in:
Anthony Scemama 2021-05-07 12:47:56 +02:00
parent 0dffa4ce4c
commit 2bb844dd59
16 changed files with 1308 additions and 214 deletions
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16
Makefile.in
View File

@ -4,11 +4,11 @@
# Clear suffix list
.SUFFIXES:
package = qmckl
version = 0.1-alpha
package = @PACKAGE_TARNAME@
version = @PACKAGE_VERSION@
tarname = $(package)
distdir = $(tarname)-$(version)
prefix = /usr/local
prefix = @prefix@
QMCKL_ROOT=$(CURDIR)
shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
@ -47,14 +47,19 @@ $(distdir): $(qmckl_h) $(qmckl_f) $(static_lib) $(shared_lib) src/Makefile.gener
mkdir -p $(distdir)/man
cp $(QMCKL_ROOT)/munit/munit.h munit/munit.c $(distdir)/munit/
cp $(QMCKL_ROOT)/src/*.c src/*.h src/*.f90 $(distdir)/src/
cp $(QMCKL_ROOT)/src/Makefile.generated $(distdir)/src/Makefile
cp $(QMCKL_ROOT)/src/Makefile.generated.in $(distdir)/src/Makefile.in
cp $(QMCKL_ROOT)/config.h.in $(distdir)/config.h.in
cp $(qmckl_h) $(distdir)/include
cp $(QMCKL_ROOT)/Makefile $(distdir)/
cp $(QMCKL_ROOT)/Makefile.in $(distdir)/
cp $(QMCKL_ROOT)/share/doc/qmckl/html/*.html $(distdir)/share/doc/qmckl/html/
cp $(QMCKL_ROOT)/share/doc/qmckl/html/*.css $(distdir)/share/doc/qmckl/html/
cp $(QMCKL_ROOT)/share/doc/qmckl/text/*.txt $(distdir)/share/doc/qmckl/text/
cp $(qmckl_f) $(distdir)/share/qmckl/fortran/
cp $(QMCKL_ROOT)/configure.ac.dist $(distdir)/configure.ac
cp $(QMCKL_ROOT)/qmckl.pc.in $(distdir)/qmckl.pc.in
cp -r $(QMCKL_ROOT)/m4 $(distdir)/m4
mkdir -p $(distdir)/lib
cd $(distdir) && ../autogen.sh
FORCE:
@ -64,6 +69,7 @@ FORCE:
distcheck: $(distdir).tar.gz
gzip -cd $(distdir).tar.gz | tar xvf -
cd $(distdir) && ./configure --enable-debug
cd $(distdir) && $(MAKE) all
cd $(distdir) && $(MAKE) check
cd $(distdir) && $(MAKE) DESTDIR=$${PWD}/_inst install

5
autogen.sh Executable file
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@ -0,0 +1,5 @@
#!/bin/bash
automake --add-missing --copy 2> /dev/null
autoreconf -i

240
config.h.in Normal file
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@ -0,0 +1,240 @@
/* config.h.in. Generated from configure.ac by autoheader. */
/* Define to turn on debugging checks */
#undef DEBUG
/* Define to use debugging malloc/free */
#undef DEBUG_MALLOC
/* 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 <assert.h> header file. */
#undef HAVE_ASSERT_H
/* Define to 1 if you have the `clock_gettime' function. */
#undef HAVE_CLOCK_GETTIME
/* Define to 1 if you have the declaration of `strerror_r', and to 0 if you
don't. */
#undef HAVE_DECL_STRERROR_R
/* Define to 1 if you have the `dup2' function. */
#undef HAVE_DUP2
/* Define to 1 if you have the <errno.h> header file. */
#undef HAVE_ERRNO_H
/* Define to 1 if you have the <fcntl.h> header file. */
#undef HAVE_FCNTL_H
/* Define to 1 if you have the `fork' function. */
#undef HAVE_FORK
/* Define to 1 if you have the `gettimeofday' function. */
#undef HAVE_GETTIMEOFDAY
/* Define to 1 if you have the <inttypes.h> header file. */
#undef HAVE_INTTYPES_H
/* Define to 1 if you have the <langinfo.h> header file. */
#undef HAVE_LANGINFO_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 you have the <limits.h> header file. */
#undef HAVE_LIMITS_H
/* Define to 1 if you have the <locale.h> header file. */
#undef HAVE_LOCALE_H
/* Define to 1 if you have the <mach/mach.h> header file. */
#undef HAVE_MACH_MACH_H
/* 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 <malloc.h> header file. */
#undef HAVE_MALLOC_H
/* Define to 1 if you have the <math.h> header file. */
#undef HAVE_MATH_H
/* Define to 1 if you have the <memory.h> 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 `nl_langinfo' function. */
#undef HAVE_NL_LANGINFO
/* Define if OpenMP is enabled */
#undef HAVE_OPENMP
/* Define to 1 if you have the <pthread.h> header file. */
#undef HAVE_PTHREAD_H
/* Define to 1 if your system has a GNU libc compatible `realloc' function,
and to 0 otherwise. */
#undef HAVE_REALLOC
/* Define to 1 if you have the `setlocale' function. */
#undef HAVE_SETLOCALE
/* Define to 1 if you have the <stdbool.h> header file. */
#undef HAVE_STDBOOL_H
/* Define to 1 if you have the <stdint.h> header file. */
#undef HAVE_STDINT_H
/* Define to 1 if you have the <stdio.h> header file. */
#undef HAVE_STDIO_H
/* Define to 1 if you have the <stdlib.h> header file. */
#undef HAVE_STDLIB_H
/* Define to 1 if you have the `strcasecmp' function. */
#undef HAVE_STRCASECMP
/* Define to 1 if you have the `strerror' function. */
#undef HAVE_STRERROR
/* Define to 1 if you have the `strerror_r' function. */
#undef HAVE_STRERROR_R
/* Define to 1 if you have the <strings.h> header file. */
#undef HAVE_STRINGS_H
/* Define to 1 if you have the <string.h> header file. */
#undef HAVE_STRING_H
/* Define to 1 if you have the `strtoul' function. */
#undef HAVE_STRTOUL
/* Define to 1 if you have the <sys/stat.h> header file. */
#undef HAVE_SYS_STAT_H
/* Define to 1 if you have the <sys/time.h> header file. */
#undef HAVE_SYS_TIME_H
/* Define to 1 if you have the <sys/types.h> header file. */
#undef HAVE_SYS_TYPES_H
/* Define to 1 if you have the <unistd.h> header file. */
#undef HAVE_UNISTD_H
/* Define to 1 if you have the `vfork' function. */
#undef HAVE_VFORK
/* Define to 1 if you have the <vfork.h> header file. */
#undef HAVE_VFORK_H
/* Define to 1 if `fork' works. */
#undef HAVE_WORKING_FORK
/* Define to 1 if `vfork' works. */
#undef HAVE_WORKING_VFORK
/* Define to 1 if the system has the type `_Bool'. */
#undef HAVE__BOOL
/* Define to 1 if your C compiler doesn't accept -c and -o together. */
#undef NO_MINUS_C_MINUS_O
/* 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
/* Define to 1 if strerror_r returns char *. */
#undef STRERROR_R_CHAR_P
/* Define to use OpenMP threading. */
#undef USE_OPENMP
/* Define for Solaris 2.5.1 so the uint32_t typedef from <sys/synch.h>,
<pthread.h>, or <semaphore.h> 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 <sys/synch.h>,
<pthread.h>, or <semaphore.h> is not used. If the typedef were allowed, the
#define below would cause a syntax error. */
#undef _UINT64_T
/* Define to `__inline__' or `__inline' if that's what the C compiler
calls it, or to nothing if 'inline' is not supported under any name. */
#ifndef __cplusplus
#undef inline
#endif
/* 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 `int' if <sys/types.h> does not define. */
#undef pid_t
/* Define to rpl_realloc if the replacement function should be used. */
#undef realloc
/* Define to `unsigned int' if <sys/types.h> does not define. */
#undef size_t
/* Define to `int' if <sys/types.h> does not define. */
#undef ssize_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
/* Define as `fork' if `vfork' does not work. */
#undef vfork

195
configure.ac
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@ -1,35 +1,200 @@
VERSION=[1.0]
AC_SUBST([VERSION])
# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
#
# configure script for maintainers.
AC_REVISION([c2d02f7 Added DESTDIR in Makefile])
AC_INIT([QMCkl],[1.0],
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_SRCDIR([src/README.org])
AC_CONFIG_HEADERS([config.h])
AC_CONFIG_MACRO_DIR([m4])
#AM_MAINTAINER_MODE
AC_LANG_PUSH([C])
AC_PROG_CC([gcc icc clang nvcc xlc])
VERSION_MAJOR=`echo ${PACKAGE_VERSION} | cut -d. -f1`
VERSION_MINOR=`echo ${PACKAGE_VERSION} | cut -d. -f2`
VERSION_PATCH=`echo ${PACKAGE_VERSION} | cut -d. -f3 | cut -d- -f1`
AC_DEFINE_UNQUOTED(QMCKL_VERSION_MAJOR, [$VERSION_MAJOR], [major version])
AC_DEFINE_UNQUOTED(QMCKL_VERSION_MINOR, [$VERSION_MINOR], [minor version])
AC_DEFINE_UNQUOTED(QMCKL_VERSION_PATCH, [$VERSION_PATCH], [patch version])
AC_CHECK_HEADERS([assert.h errno.h malloc.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h])
#AM_INIT_AUTOMAKE([foreign color-tests parallel-tests silent-rules 1.11])
#AM_SILENT_RULES(yes)
#AC_SUBST(SHARED_VERSION_INFO)
#AM_ENABLE_SHARED(no) dnl shared libs cause too many headaches to be default
#AC_PROG_LIBTOOL
AC_PROG_FC([ifort gfortran flang nvfortran xlf90],[Fortran])
AC_LANG(C)
# Checks for programs.
AC_PROG_CC
AC_PROG_CC_C_O
AC_PROG_FC
AC_PROG_FC_C_O
AC_FC_SRCEXT([f90])
AC_FC_FREEFORM
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_CC_C99
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
PKG_PROG_PKG_CONFIG()
PKG_LIBS=""
PKG_CFLAGS=""
AC_CHECK_HEADER([munit/munit.h], [echo found], [echo not found] )
if test x${EMACS} == xno ; then
AC_MSG_ERROR([
--------------------------------------
Error: Emacs is required for org-mode.
--------------------------------------
])
fi
# fPIC option
AC_MSG_CHECKING(whether fPIC compiler option is accepted in C)
SAVED_CFLAGS="${CFLAGS}"
CFLAGS="${CFLAGS} -fPIC -Werror"
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([], [return 0;])],
[AC_MSG_RESULT(yes)
CFLAGS="${SAVED_CFLAGS} -fPIC"],
[AC_MSG_RESULT(no)
CFLAGS="${SAVED_CFLAGS}"])
AC_MSG_CHECKING(whether fPIC compiler option is accepted in Fortran)
FCFLAGS="${FCFLAGS} -fPIC -Werror"
SAVED_FCFLAGS="${FCFLAGS}"
AC_LANG_PUSH(Fortran)
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([], [])],
[AC_MSG_RESULT(yes)
FCFLAGS="${SAVED_FCFLAGS} -fPIC"],
[AC_MSG_RESULT(no)
FCFLAGS="${SAVED_FCFLAGS}"])
AC_LANG_POP()
# Checks for libraries.
AC_FC_LIBRARY_LDFLAGS
AC_CHECK_LIB([m], [sqrt])
AC_CHECK_HEADERS([assert.h errno.h malloc.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h])
## pthread
AC_CHECK_LIB([pthread], [pthread_create])
AC_SEARCH_LIBS([dgemm], [blas mkl],
[],
AC_MSG_ERROR([Unable to find a BLAS library]) )
AC_CONFIG_FILES(Makefile)
# OpenMP
AC_ARG_WITH(openmp, [AC_HELP_STRING([--with-openmp],[enable OpenMP])], with_omp=$withval, with_omp=no)
if test "x$with_omp" = xyes; then
AC_DEFINE([USE_OPENMP], [1], [Define to use OpenMP threading.])
AX_OPENMP([],
[AC_MSG_ERROR([Could not find OpenMP flags; configure with --without-openmp])])
CFLAGS="${CFLAGS} ${OPENMP_CFLAGS}"
fi
## BLAS
#AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])])
## LAPACK
#AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])])
# Checks for header files.
## qmckl
AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
## munit
AC_CHECK_FILE([munit/munit.h], [],
AC_MSG_ERROR([
-------------------------------------------------
Error: Git submodule for munit is not downloaded.
$ git submodule update --init
-------------------------------------------------
]) )
AC_CHECK_HEADERS([fcntl.h langinfo.h limits.h locale.h mach/mach.h sys/time.h])
# 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
## munit
AC_TYPE_PID_T
AC_C_INLINE
AC_TYPE_SSIZE_T
# Checks for library functions.
## qmckl
AC_FUNC_MALLOC
AC_CHECK_FUNCS([memset strerror])
## munit
AC_FUNC_REALLOC
AC_FUNC_STRERROR_R
AC_FUNC_FORK
AC_CHECK_FUNCS([clock_gettime dup2 gettimeofday nl_langinfo setlocale strcasecmp strtoul])
# Options.
AC_ARG_ENABLE(debug, [AC_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
if test "$GCC" = "yes"; then
CFLAGS="$CFLAGS \
-Wall -W -Wbad-function-cast -Wcast-qual \
-Wpointer-arith -Wcast-align -Wpedantic -Wextra -fmax-errors=3"
fi
if test "$GFC" = "yes"; then
FCFLAGS="$FCFLAGS \
-fcheck=all -Waliasing -Wampersand -Wconversion \
-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])
fi
AC_ARG_ENABLE(debug-malloc, [AC_HELP_STRING([--enable-debug-malloc],[use debug malloc/free])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
AC_DEFINE(DEBUG_MALLOC,1,[Define to use debugging malloc/free])
fi
AC_ARG_ENABLE(prof, [AC_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
CFLAGS="${CFLAGS} -pg"
AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool])
fi
AC_ARG_WITH(efence, [AC_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no)
if test "$ok" = "yes"; then
AC_CHECK_LIB(efence, malloc)
fi
#PKG-CONFIG
#mkl-dynamic-lp64-seq
LIBS="${LAPACK_LIBS} ${BLAS_LIBS} ${LIBS}"
PKG_LIBS="${PKG_LIBS} ${LIBS}"
AC_SUBST([PKG_LIBS])
AC_SUBST([PKG_CFLAGS])
AC_CONFIG_FILES([Makefile
qmckl.pc
configure.ac.dist
src/Makefile.generated
src/Makefile])
AC_CHECK_PROGS([HAS_EMACS],[emacs],[])
AC_OUTPUT

168
configure.ac.dist.in Normal file
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@ -0,0 +1,168 @@
# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
#
# configure script for maintainers.
AC_PREREQ([2.69])
AC_INIT([@PACKAGE_NAME@],[@PACKAGE_VERSION@],
[@PACKAGE_BUGREPORT@], [],
[@PACKAGE_URL@])
AC_CONFIG_SRCDIR([src/qmckl_ao.c])
AC_CONFIG_HEADERS([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`
VERSION_PATCH=`echo ${PACKAGE_VERSION} | cut -d. -f3 | cut -d- -f1`
AC_DEFINE_UNQUOTED(QMCKL_VERSION_MAJOR, [$VERSION_MAJOR], [major version])
AC_DEFINE_UNQUOTED(QMCKL_VERSION_MINOR, [$VERSION_MINOR], [minor version])
AC_DEFINE_UNQUOTED(QMCKL_VERSION_PATCH, [$VERSION_PATCH], [patch version])
#AM_INIT_AUTOMAKE([foreign color-tests parallel-tests silent-rules 1.11])
#AM_SILENT_RULES(yes)
#AC_SUBST(SHARED_VERSION_INFO)
#AM_ENABLE_SHARED(no) dnl shared libs cause too many headaches to be default
#AC_PROG_LIBTOOL
AC_LANG(C)
# Checks for programs.
AC_PROG_CC
AC_PROG_CC_C_O
AC_PROG_FC
AC_PROG_FC_C_O
AC_FC_SRCEXT([f90])
AC_FC_FREEFORM
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_CC_C99
PKG_PROG_PKG_CONFIG()
PKG_LIBS=""
PKG_CFLAGS=""
# fPIC option
AC_MSG_CHECKING(whether fPIC compiler option is accepted in C)
SAVED_CFLAGS="${CFLAGS}"
CFLAGS="${CFLAGS} -fPIC -Werror"
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([], [return 0;])],
[AC_MSG_RESULT(yes)
CFLAGS="${SAVED_CFLAGS} -fPIC"],
[AC_MSG_RESULT(no)
CFLAGS="${SAVED_CFLAGS}"])
AC_MSG_CHECKING(whether fPIC compiler option is accepted in Fortran)
FCFLAGS="${FCFLAGS} -fPIC -Werror"
SAVED_FCFLAGS="${FCFLAGS}"
AC_LANG_PUSH(Fortran)
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([], [])],
[AC_MSG_RESULT(yes)
FCFLAGS="${SAVED_FCFLAGS} -fPIC"],
[AC_MSG_RESULT(no)
FCFLAGS="${SAVED_FCFLAGS}"])
AC_LANG_POP()
# Checks for libraries.
AC_FC_LIBRARY_LDFLAGS
AC_CHECK_LIB([m], [sqrt])
AC_CHECK_HEADERS([assert.h errno.h malloc.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h])
## pthread
AC_CHECK_LIB([pthread], [pthread_create])
# OpenMP
AC_ARG_WITH(openmp, [AC_HELP_STRING([--with-openmp],[enable OpenMP])], with_omp=$withval, with_omp=no)
if test "x$with_omp" = xyes; then
AC_DEFINE([USE_OPENMP], [1], [Define to use OpenMP threading.])
AX_OPENMP([],
[AC_MSG_ERROR([Could not find OpenMP flags; configure with --without-openmp])])
CFLAGS="${CFLAGS} ${OPENMP_CFLAGS}"
fi
## BLAS
AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])])
## LAPACK
AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])])
# Checks for header files.
## qmckl
AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
# Checks for typedefs, structures, and compiler characteristics.
## qmckl
AC_CHECK_HEADER_STDBOOL
AC_TYPE_INT32_T
AC_TYPE_INT64_T
AC_TYPE_SIZE_T
AC_TYPE_UINT32_T
AC_TYPE_UINT64_T
# Checks for library functions.
## qmckl
AC_FUNC_MALLOC
AC_CHECK_FUNCS([memset strerror])
# Options.
AC_ARG_ENABLE(debug, [AC_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
if test "$GCC" = "yes"; then
CFLAGS="$CFLAGS \
-Wall -W -Wbad-function-cast -Wcast-qual \
-Wpointer-arith -Wcast-align -Wpedantic -Wextra -fmax-errors=3"
fi
if test "$GFC" = "yes"; then
FCFLAGS="$FCFLAGS \
-fcheck=all -Waliasing -Wampersand -Wconversion \
-Wsurprising -ffpe-trap=zero,overflow,underflow \
-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan"
fi
if test "$FC" = "ifort"; then
FCFLAGS="$FCFLAGS \
-traceback -check all -debug all -fpe-all=0 -implicitnone"
fi
AC_DEFINE(DEBUG,1,[Define to turn on debugging checks])
fi
AC_ARG_ENABLE(debug-malloc, [AC_HELP_STRING([--enable-debug-malloc],[use debug malloc/free])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
AC_DEFINE(DEBUG_MALLOC,1,[Define to use debugging malloc/free])
fi
AC_ARG_ENABLE(prof, [AC_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
CFLAGS="${CFLAGS} -pg"
AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool])
fi
AC_ARG_WITH(efence, [AC_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no)
if test "$ok" = "yes"; then
AC_CHECK_LIB(efence, malloc)
fi
#PKG-CONFIG
#mkl-dynamic-lp64-seq
LIBS="${LAPACK_LIBS} ${BLAS_LIBS} ${LIBS}"
PKG_LIBS="${PKG_LIBS} ${LIBS}"
AC_SUBST([PKG_LIBS])
AC_SUBST([PKG_CFLAGS])
AC_CONFIG_FILES([Makefile
qmckl.pc
src/Makefile
])
AC_OUTPUT

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m4/ax_blas.m4 Normal file
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@ -0,0 +1,207 @@
# ===========================================================================
# http://www.gnu.org/software/autoconf-archive/ax_blas.html
# ===========================================================================
#
# SYNOPSIS
#
# AX_BLAS([ACTION-IF-FOUND[, ACTION-IF-NOT-FOUND]])
#
# DESCRIPTION
#
# This macro looks for a library that implements the BLAS linear-algebra
# interface (see http://www.netlib.org/blas/). On success, it sets the
# BLAS_LIBS output variable to hold the requisite library linkages.
#
# To link with BLAS, you should link with:
#
# $BLAS_LIBS $LIBS $FLIBS
#
# in that order. FLIBS is the output variable of the
# AC_F77_LIBRARY_LDFLAGS macro (called if necessary by AX_BLAS), and is
# sometimes necessary in order to link with F77 libraries. Users will also
# need to use AC_F77_DUMMY_MAIN (see the autoconf manual), for the same
# reason.
#
# Many libraries are searched for, from ATLAS to CXML to ESSL. The user
# may also use --with-blas=<lib> in order to use some specific BLAS
# library <lib>. In order to link successfully, however, be aware that you
# will probably need to use the same Fortran compiler (which can be set
# via the F77 env. var.) as was used to compile the BLAS library.
#
# ACTION-IF-FOUND is a list of shell commands to run if a BLAS library is
# found, and ACTION-IF-NOT-FOUND is a list of commands to run it if it is
# not found. If ACTION-IF-FOUND is not specified, the default action will
# define HAVE_BLAS.
#
# LICENSE
#
# Copyright (c) 2008 Steven G. Johnson <stevenj@alum.mit.edu>
#
# 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 3 of the License, 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. If not, see <http://www.gnu.org/licenses/>.
#
# As a special exception, the respective Autoconf Macro's copyright owner
# gives unlimited permission to copy, distribute and modify the configure
# scripts that are the output of Autoconf when processing the Macro. You
# need not follow the terms of the GNU General Public License when using
# or distributing such scripts, even though portions of the text of the
# Macro appear in them. The GNU General Public License (GPL) does govern
# all other use of the material that constitutes the Autoconf Macro.
#
# This special exception to the GPL applies to versions of the Autoconf
# Macro released by the Autoconf Archive. When you make and distribute a
# modified version of the Autoconf Macro, you may extend this special
# exception to the GPL to apply to your modified version as well.
#serial 12
AU_ALIAS([ACX_BLAS], [AX_BLAS])
AC_DEFUN([AX_BLAS], [
AC_PREREQ(2.50)
AC_REQUIRE([AC_F77_LIBRARY_LDFLAGS])
ax_blas_ok=no
AC_ARG_WITH(blas,
[AS_HELP_STRING([--with-blas=<lib>], [use BLAS library <lib>])])
case $with_blas in
yes | "") ;;
no) ax_blas_ok=disable ;;
-* | */* | *.a | *.so | *.so.* | *.o) BLAS_LIBS="$with_blas" ;;
*) BLAS_LIBS="-l$with_blas" ;;
esac
# Get fortran linker names of BLAS functions to check for.
AC_F77_FUNC(sgemm)
AC_F77_FUNC(dgemm)
ax_blas_save_LIBS="$LIBS"
LIBS="$LIBS $FLIBS"
# First, check BLAS_LIBS environment variable
if test $ax_blas_ok = no; then
if test "x$BLAS_LIBS" != x; then
save_LIBS="$LIBS"; LIBS="$BLAS_LIBS $LIBS"
AC_MSG_CHECKING([for $sgemm in $BLAS_LIBS])
AC_TRY_LINK_FUNC($sgemm, [ax_blas_ok=yes], [BLAS_LIBS=""])
AC_MSG_RESULT($ax_blas_ok)
LIBS="$save_LIBS"
fi
fi
# BLAS linked to by default? (happens on some supercomputers)
if test $ax_blas_ok = no; then
save_LIBS="$LIBS"; LIBS="$LIBS"
AC_MSG_CHECKING([if $sgemm is being linked in already])
AC_TRY_LINK_FUNC($sgemm, [ax_blas_ok=yes])
AC_MSG_RESULT($ax_blas_ok)
LIBS="$save_LIBS"
fi
# BLAS in OpenBLAS library? (http://xianyi.github.com/OpenBLAS/)
if test $ax_blas_ok = no; then
AC_CHECK_LIB(openblas, $sgemm, [ax_blas_ok=yes
BLAS_LIBS="-lopenblas"])
fi
# BLAS in ATLAS library? (http://math-atlas.sourceforge.net/)
if test $ax_blas_ok = no; then
AC_CHECK_LIB(atlas, ATL_xerbla,
[AC_CHECK_LIB(f77blas, $sgemm,
[AC_CHECK_LIB(cblas, cblas_dgemm,
[ax_blas_ok=yes
BLAS_LIBS="-lcblas -lf77blas -latlas"],
[], [-lf77blas -latlas])],
[], [-latlas])])
fi
# BLAS in PhiPACK libraries? (requires generic BLAS lib, too)
if test $ax_blas_ok = no; then
AC_CHECK_LIB(blas, $sgemm,
[AC_CHECK_LIB(dgemm, $dgemm,
[AC_CHECK_LIB(sgemm, $sgemm,
[ax_blas_ok=yes; BLAS_LIBS="-lsgemm -ldgemm -lblas"],
[], [-lblas])],
[], [-lblas])])
fi
# BLAS in Intel MKL library?
if test $ax_blas_ok = no; then
AC_CHECK_LIB(mkl, $sgemm, [ax_blas_ok=yes;BLAS_LIBS="-lmkl -lguide -lpthread"],,[-lguide -lpthread])
fi
# BLAS in Apple vecLib library?
if test $ax_blas_ok = no; then
save_LIBS="$LIBS"; LIBS="-framework vecLib $LIBS"
AC_MSG_CHECKING([for $sgemm in -framework vecLib])
AC_TRY_LINK_FUNC($sgemm, [ax_blas_ok=yes;BLAS_LIBS="-framework vecLib"])
AC_MSG_RESULT($ax_blas_ok)
LIBS="$save_LIBS"
fi
# BLAS in Alpha CXML library?
if test $ax_blas_ok = no; then
AC_CHECK_LIB(cxml, $sgemm, [ax_blas_ok=yes;BLAS_LIBS="-lcxml"])
fi
# BLAS in Alpha DXML library? (now called CXML, see above)
if test $ax_blas_ok = no; then
AC_CHECK_LIB(dxml, $sgemm, [ax_blas_ok=yes;BLAS_LIBS="-ldxml"])
fi
# BLAS in Sun Performance library?
if test $ax_blas_ok = no; then
if test "x$GCC" != xyes; then # only works with Sun CC
AC_CHECK_LIB(sunmath, acosp,
[AC_CHECK_LIB(sunperf, $sgemm,
[BLAS_LIBS="-xlic_lib=sunperf -lsunmath"
ax_blas_ok=yes],[],[-lsunmath])])
fi
fi
# BLAS in SCSL library? (SGI/Cray Scientific Library)
if test $ax_blas_ok = no; then
AC_CHECK_LIB(scs, $sgemm, [ax_blas_ok=yes; BLAS_LIBS="-lscs"])
fi
# BLAS in SGIMATH library?
if test $ax_blas_ok = no; then
AC_CHECK_LIB(complib.sgimath, $sgemm,
[ax_blas_ok=yes; BLAS_LIBS="-lcomplib.sgimath"])
fi
# BLAS in IBM ESSL library? (requires generic BLAS lib, too)
if test $ax_blas_ok = no; then
AC_CHECK_LIB(blas, $sgemm,
[AC_CHECK_LIB(essl, $sgemm,
[ax_blas_ok=yes; BLAS_LIBS="-lessl -lblas"],
[], [-lblas $FLIBS])])
fi
# Generic BLAS library?
if test $ax_blas_ok = no; then
AC_CHECK_LIB(blas, $sgemm, [ax_blas_ok=yes; BLAS_LIBS="-lblas"])
fi
AC_SUBST(BLAS_LIBS)
LIBS="$ax_blas_save_LIBS"
# Finally, execute ACTION-IF-FOUND/ACTION-IF-NOT-FOUND:
if test x"$ax_blas_ok" = xyes; then
ifelse([$1],,AC_DEFINE(HAVE_BLAS,1,[Define if you have a BLAS library.]),[$1])
:
else
ax_blas_ok=no
$2
fi
])dnl AX_BLAS

131
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@ -0,0 +1,131 @@
# ===========================================================================
# http://www.gnu.org/software/autoconf-archive/ax_lapack.html
# ===========================================================================
#
# SYNOPSIS
#
# AX_LAPACK([ACTION-IF-FOUND[, ACTION-IF-NOT-FOUND]])
#
# DESCRIPTION
#
# This macro looks for a library that implements the LAPACK linear-algebra
# interface (see http://www.netlib.org/lapack/). On success, it sets the
# LAPACK_LIBS output variable to hold the requisite library linkages.
#
# To link with LAPACK, you should link with:
#
# $LAPACK_LIBS $BLAS_LIBS $LIBS $FLIBS
#
# in that order. BLAS_LIBS is the output variable of the AX_BLAS macro,
# called automatically. FLIBS is the output variable of the
# AC_F77_LIBRARY_LDFLAGS macro (called if necessary by AX_BLAS), and is
# sometimes necessary in order to link with F77 libraries. Users will also
# need to use AC_F77_DUMMY_MAIN (see the autoconf manual), for the same
# reason.
#
# The user may also use --with-lapack=<lib> in order to use some specific
# LAPACK library <lib>. In order to link successfully, however, be aware
# that you will probably need to use the same Fortran compiler (which can
# be set via the F77 env. var.) as was used to compile the LAPACK and BLAS
# libraries.
#
# ACTION-IF-FOUND is a list of shell commands to run if a LAPACK library
# is found, and ACTION-IF-NOT-FOUND is a list of commands to run it if it
# is not found. If ACTION-IF-FOUND is not specified, the default action
# will define HAVE_LAPACK.
#
# LICENSE
#
# Copyright (c) 2009 Steven G. Johnson <stevenj@alum.mit.edu>
#
# 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 3 of the License, 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. If not, see <http://www.gnu.org/licenses/>.
#
# As a special exception, the respective Autoconf Macro's copyright owner
# gives unlimited permission to copy, distribute and modify the configure
# scripts that are the output of Autoconf when processing the Macro. You
# need not follow the terms of the GNU General Public License when using
# or distributing such scripts, even though portions of the text of the
# Macro appear in them. The GNU General Public License (GPL) does govern
# all other use of the material that constitutes the Autoconf Macro.
#
# This special exception to the GPL applies to versions of the Autoconf
# Macro released by the Autoconf Archive. When you make and distribute a
# modified version of the Autoconf Macro, you may extend this special
# exception to the GPL to apply to your modified version as well.
#serial 7
AU_ALIAS([ACX_LAPACK], [AX_LAPACK])
AC_DEFUN([AX_LAPACK], [
AC_REQUIRE([AX_BLAS])
ax_lapack_ok=no
AC_ARG_WITH(lapack,
[AS_HELP_STRING([--with-lapack=<lib>], [use LAPACK library <lib>])])
case $with_lapack in
yes | "") ;;
no) ax_lapack_ok=disable ;;
-* | */* | *.a | *.so | *.so.* | *.o) LAPACK_LIBS="$with_lapack" ;;
*) LAPACK_LIBS="-l$with_lapack" ;;
esac
# Get fortran linker name of LAPACK function to check for.
AC_F77_FUNC(cheev)
# We cannot use LAPACK if BLAS is not found
if test "x$ax_blas_ok" != xyes; then
ax_lapack_ok=noblas
LAPACK_LIBS=""
fi
# First, check LAPACK_LIBS environment variable
if test "x$LAPACK_LIBS" != x; then
save_LIBS="$LIBS"; LIBS="$LAPACK_LIBS $BLAS_LIBS $LIBS $FLIBS"
AC_MSG_CHECKING([for $cheev in $LAPACK_LIBS])
AC_TRY_LINK_FUNC($cheev, [ax_lapack_ok=yes], [LAPACK_LIBS=""])
AC_MSG_RESULT($ax_lapack_ok)
LIBS="$save_LIBS"
if test $ax_lapack_ok = no; then
LAPACK_LIBS=""
fi
fi
# LAPACK linked to by default? (is sometimes included in BLAS lib)
if test $ax_lapack_ok = no; then
save_LIBS="$LIBS"; LIBS="$LIBS $BLAS_LIBS $FLIBS"
AC_CHECK_FUNC($cheev, [ax_lapack_ok=yes])
LIBS="$save_LIBS"
fi
# Generic LAPACK library?
for lapack in lapack lapack_rs6k; do
if test $ax_lapack_ok = no; then
save_LIBS="$LIBS"; LIBS="$BLAS_LIBS $LIBS"
AC_CHECK_LIB($lapack, $cheev,
[ax_lapack_ok=yes; LAPACK_LIBS="-l$lapack"], [], [$FLIBS])
LIBS="$save_LIBS"
fi
done
AC_SUBST(LAPACK_LIBS)
# Finally, execute ACTION-IF-FOUND/ACTION-IF-NOT-FOUND:
if test x"$ax_lapack_ok" = xyes; then
ifelse([$1],,AC_DEFINE(HAVE_LAPACK,1,[Define if you have LAPACK library.]),[$1])
:
else
ax_lapack_ok=no
$2
fi
])dnl AX_LAPACK

99
m4/ax_openmp.m4 Normal file
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@ -0,0 +1,99 @@
# ===========================================================================
# http://www.gnu.org/software/autoconf-archive/ax_openmp.html
# ===========================================================================
#
# SYNOPSIS
#
# AX_OPENMP([ACTION-IF-FOUND[, ACTION-IF-NOT-FOUND]])
#
# DESCRIPTION
#
# This macro tries to find out how to compile programs that use OpenMP a
# standard API and set of compiler directives for parallel programming
# (see http://www-unix.mcs/)
#
# On success, it sets the OPENMP_CFLAGS/OPENMP_CXXFLAGS/OPENMP_F77FLAGS
# output variable to the flag (e.g. -omp) used both to compile *and* link
# OpenMP programs in the current language.
#
# NOTE: You are assumed to not only compile your program with these flags,
# but also link it with them as well.
#
# If you want to compile everything with OpenMP, you should set:
#
# CFLAGS="$CFLAGS $OPENMP_CFLAGS"
# #OR# CXXFLAGS="$CXXFLAGS $OPENMP_CXXFLAGS"
# #OR# FFLAGS="$FFLAGS $OPENMP_FFLAGS"
#
# (depending on the selected language).
#
# The user can override the default choice by setting the corresponding
# environment variable (e.g. OPENMP_CFLAGS).
#
# ACTION-IF-FOUND is a list of shell commands to run if an OpenMP flag is
# found, and ACTION-IF-NOT-FOUND is a list of commands to run it if it is
# not found. If ACTION-IF-FOUND is not specified, the default action will
# define HAVE_OPENMP.
#
# LICENSE
#
# Copyright (c) 2008 Steven G. Johnson <stevenj@alum.mit.edu>
#
# 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 3 of the License, 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. If not, see <http://www.gnu.org/licenses/>.
#
# As a special exception, the respective Autoconf Macro's copyright owner
# gives unlimited permission to copy, distribute and modify the configure
# scripts that are the output of Autoconf when processing the Macro. You
# need not follow the terms of the GNU General Public License when using
# or distributing such scripts, even though portions of the text of the
# Macro appear in them. The GNU General Public License (GPL) does govern
# all other use of the material that constitutes the Autoconf Macro.
#
# This special exception to the GPL applies to versions of the Autoconf
# Macro released by the Autoconf Archive. When you make and distribute a
# modified version of the Autoconf Macro, you may extend this special
# exception to the GPL to apply to your modified version as well.
#serial 8
AC_DEFUN([AX_OPENMP], [
AC_PREREQ(2.59) dnl for _AC_LANG_PREFIX
AC_CACHE_CHECK([for OpenMP flag of _AC_LANG compiler], ax_cv_[]_AC_LANG_ABBREV[]_openmp, [save[]_AC_LANG_PREFIX[]FLAGS=$[]_AC_LANG_PREFIX[]FLAGS
ax_cv_[]_AC_LANG_ABBREV[]_openmp=unknown
# Flags to try: -fopenmp (gcc), -openmp (icc), -mp (SGI & PGI),
# -xopenmp (Sun), -omp (Tru64), -qsmp=omp (AIX), none
ax_openmp_flags="-fopenmp -openmp -mp -xopenmp -omp -qsmp=omp none"
if test "x$OPENMP_[]_AC_LANG_PREFIX[]FLAGS" != x; then
ax_openmp_flags="$OPENMP_[]_AC_LANG_PREFIX[]FLAGS $ax_openmp_flags"
fi
for ax_openmp_flag in $ax_openmp_flags; do
case $ax_openmp_flag in
none) []_AC_LANG_PREFIX[]FLAGS=$save[]_AC_LANG_PREFIX[] ;;
*) []_AC_LANG_PREFIX[]FLAGS="$save[]_AC_LANG_PREFIX[]FLAGS $ax_openmp_flag" ;;
esac
AC_TRY_LINK_FUNC(omp_set_num_threads,
[ax_cv_[]_AC_LANG_ABBREV[]_openmp=$ax_openmp_flag; break])
done
[]_AC_LANG_PREFIX[]FLAGS=$save[]_AC_LANG_PREFIX[]FLAGS
])
if test "x$ax_cv_[]_AC_LANG_ABBREV[]_openmp" = "xunknown"; then
m4_default([$2],:)
else
if test "x$ax_cv_[]_AC_LANG_ABBREV[]_openmp" != "xnone"; then
OPENMP_[]_AC_LANG_PREFIX[]FLAGS=$ax_cv_[]_AC_LANG_ABBREV[]_openmp
fi
m4_default([$1], [AC_DEFINE(HAVE_OPENMP,1,[Define if OpenMP is enabled])])
fi
])dnl AX_OPENMP

12
qmckl.pc
View File

@ -1,12 +0,0 @@
prefix=/usr
exec_prefix=${prefix}
includedir=${exec_prefix}/include
libdir=${exec_prefix}/lib
Name: QMCkl
Description: Quantum Monte Carlo kernel library
URL: https://github.com/trex-coe/qmckl
Version: 1.0.0
Cflags: -I${includedir}
Libs: -L${libdir} -lqmckl
Requires.private: blas

13
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@ -0,0 +1,13 @@
prefix=@prefix@
exec_prefix=@exec_prefix@
includedir=@includedir@
libdir=@libdir@
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@

141
src/Makefile
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@ -1,141 +0,0 @@
# Header :noexport:
# This file was created by tools/Building.org
.POSIX:
# Dependencies
LIBS=-lpthread
# Variables
QMCKL_ROOT=$(shell dirname $(CURDIR))
shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
export CC CFLAGS FC FFLAGS LIBS QMCKL_ROOT
ORG_SOURCE_FILES=$(wildcard *.org)
C_SOURCE_FILES=$(patsubst %.org,%.c,$(ORG_SOURCE_FILES))
INCLUDE=-I$(QMCKL_ROOT)/include/
# Compiler options
# GNU, Intel and LLVM compilers are supported. Choose here:
COMPILER=GNU
#COMPILER=INTEL
#COMPILER=LLVM
# GNU
ifeq ($(COMPILER),GNU)
#----------------------------------------------------------
CC=gcc -g
CFLAGS=-fPIC $(INCLUDE) \
-fexceptions -Wall -Werror -Wpedantic -Wextra -fmax-errors=3
FC=gfortran -g
FFLAGS=-fPIC $(INCLUDE) \
-fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising \
-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
-ffpe-trap=zero,overflow,underflow
LIBS+=-lgfortran -lm
#----------------------------------------------------------
endif
# Intel
ifeq ($(COMPILER),INTEL)
#----------------------------------------------------------
CC=icc -xHost
CFLAGS=-fPIC -g -O2 $(INCLUDE)
FC=ifort -xHost
FFLAGS=-fPIC -g -O2 $(INCLUDE)
LIBS+=-lm -lifcore -lirc
#----------------------------------------------------------
CC=icc -xHost
endif
# LLVM
ifeq ($(COMPILER),LLVM)
#----------------------------------------------------------
CC=clang
CFLAGS=-fPIC -g -O2 $(INCLUDE)
FC=flang
FFLAGS=fPIC -g -O2 $(INCLUDE)
LIBS+=-lm
#----------------------------------------------------------
endif
# Rules
# The source files are created during the generation of the file ~Makefile.generated~.
# The Makefile.generated is the one that will be distributed with the library.
.PHONY: clean shared static doc all check install uninstall
.SECONDARY: # Needed to keep the produced C and Fortran files
$(shared_lib) $(static_lib): $(qmckl_h) $(qmckl_f) Makefile.generated
$(MAKE) -f Makefile.generated $@
install uninstall: Makefile.generated
$(MAKE) -f Makefile.generated $@
$(qmckl_f) $(qmckl_h): Makefile.generated
$(QMCKL_ROOT)/tools/build_qmckl_h.sh
shared: $(shared_lib)
static: $(static_lib)
all: shared static doc check
check: $(static_lib)
$(MAKE) -f Makefile.generated check
cppcheck:
cppcheck \
--addon=cert \
--enable=warning,style,performance,portability,information \
qmckl_*.c
doc: $(ORG_SOURCE_FILES)
$(QMCKL_ROOT)/tools/build_doc.sh
clean:
- $(MAKE) -f Makefile.generated clean
- $(RM) test_qmckl_* test_qmckl.c \
$(qmckl_h) $(qmckl_f) \
qmckl_*.f90 qmckl_*.c qmckl_*.h \
Makefile.generated *.html *.txt
veryclean: clean FORCE
- $(RM) $(QMCKL_ROOT)/share/doc/qmckl/html/*.html \
$(QMCKL_ROOT)/share/doc/qmckl/text/*.txt
Makefile.generated: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURCE_FILES) ../tools/Building.org
$(QMCKL_ROOT)/tools/create_makefile.sh
.SUFFIXES: .org .c
.org.c:
$(QMCKL_ROOT)/tools/tangle.sh $<

104
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@ -0,0 +1,104 @@
.POSIX:
.SUFFIXES:
package = @PACKAGE_TARNAME@
version = @PACKAGE_VERSION@
prefix = @prefix@
CC = @CC@
CFLAGS= @CFLAGS@ -I../munit/ -I../include
FC = @FC@
FCFLAGS= @FCFLAGS@
OBJECT_FILES=qmckl_f.o qmckl_ao.o qmckl_ao_f.o qmckl_context.o qmckl_distance_f.o qmckl_electron.o qmckl_electron_f.o qmckl_error.o qmckl_memory.o qmckl_numprec.o
TESTS = test_qmckl_ao.o test_qmckl_context.o test_qmckl_distance.o test_qmckl_electron.o test_qmckl_error.o test_qmckl_memory.o test_qmckl_numprec.o
TESTS_F = test_qmckl_ao_f.o test_qmckl_distance_f.o
LIBS = @LIBS@
FCLIBS = @FCLIBS@
QMCKL_ROOT=$(shell dirname $(CURDIR))
shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
munit=$(QMCKL_ROOT)/munit/munit.c
datarootdir=$(prefix)/share
datadir=$(datarootdir)
docdir=$(datarootdir)/doc/$(package)
htmldir=$(docdir)/html
libdir=$(prefix)/lib
includedir=$(prefix)/include
fortrandir=$(datarootdir)/$(package)/fortran
shared: $(shared_lib)
static: $(static_lib)
all: shared static
$(shared_lib): $(OBJECT_FILES)
$(CC) -shared $(OBJECT_FILES) -o $(shared_lib)
$(static_lib): $(OBJECT_FILES)
$(AR) rcs $(static_lib) $(OBJECT_FILES)
# Test
qmckl_f.o: $(qmckl_f)
$(FC) $(FCFLAGS) -c $(qmckl_f) -o $@
test_qmckl: test_qmckl.c $(qmckl_h) $(static_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(munit) $(TESTS) $(TESTS_F) $(static_lib) $(LIBS) \
$(FCLIBS) test_qmckl.c -o $@
test_qmckl_shared: test_qmckl.c $(qmckl_h) $(shared_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) -Wl,-rpath,$(QMCKL_ROOT)/lib -L$(QMCKL_ROOT)/lib \
$(munit) $(TESTS) $(TESTS_F) -lqmckl $(LIBS) $(FCLIBS) test_qmckl.c -o $@
check: test_qmckl test_qmckl_shared
./test_qmckl
clean:
$(RM) -- *.o *.mod $(shared_lib) $(static_lib) test_qmckl
install:
install -d $(DESTDIR)$(prefix)/lib
install -d $(DESTDIR)$(prefix)/include
install -d $(DESTDIR)$(prefix)/share/qmckl/fortran
install -d $(DESTDIR)$(prefix)/share/doc/qmckl/html/
install -d $(DESTDIR)$(prefix)/share/doc/qmckl/text/
install $(shared_lib) $(DESTDIR)$(libdir)/
install $(static_lib) $(DESTDIR)$(libdir)/
install $(qmckl_h) $(DESTDIR)$(includedir)
install $(qmckl_f) $(DESTDIR)$(fortrandir)
install $(QMCKL_ROOT)/share/doc/qmckl/html/*.html $(DESTDIR)$(docdir)/html/
install $(QMCKL_ROOT)/share/doc/qmckl/html/*.css $(DESTDIR)$(docdir)/html/
install $(QMCKL_ROOT)/share/doc/qmckl/text/*.txt $(DESTDIR)$(docdir)/text/
uninstall:
rm $(DESTDIR)$(libdir)/libqmckl.so
rm $(DESTDIR)$(libdir)/libqmckl.a
rm $(DESTDIR)$(includedir)/qmckl.h
rm -rf $(DESTDIR)$(datarootdir)/$(package)
rm -rf $(DESTDIR)$(docdir)
.SUFFIXES: .c .f90 .o
.c.o:
$(CC) $(CFLAGS) -c $*.c -o $*.o
.f90.o: qmckl_f.o
$(FC) $(FCFLAGS) -c $*.f90 -o $*.o
.PHONY: check cppcheck clean all

96
src/Makefile.in Normal file
View File

@ -0,0 +1,96 @@
# Header
# We want the Makefile to be POSIX-compliant, such that it works not
# only with GNU Make.
# This file was created by tools/Building.org
.POSIX:
# Compiler options
# Compiler variables are obtained from the configure script (see =configure.ac=)
CC = @CC@
FC = @FC@
CFLAGS = @CFLAGS@
FCFLAGS = @FCFLAGS@
LDFLAGS = @LDFLAGS@
# Variables
HAS_CPPCHECK = @HAS_CPPCHECK@
QMCKL_ROOT=$(shell dirname $(CURDIR))
shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
export CC CFLAGS FC FCFLAGS LIBS QMCKL_ROOT
ORG_SOURCE_FILES=$(wildcard $(QMCKL_ROOT)/*.org)
C_SOURCE_FILES=$(patsubst %.org,%.c,$(ORG_SOURCE_FILES))
INCLUDE=-I$(QMCKL_ROOT)/include/
# Rules
# The source files are created during the generation of the file ~Makefile.generated~.
# The Makefile.generated is the one that will be distributed with the library.
.PHONY: clean shared static doc all check install uninstall
.SECONDARY: # Needed to keep the produced C and Fortran files
$(shared_lib) $(static_lib): $(qmckl_h) $(qmckl_f) Makefile.generated
$(MAKE) -f Makefile.generated $@
install uninstall: Makefile.generated
$(MAKE) -f Makefile.generated $@
$(qmckl_f) $(qmckl_h): Makefile.generated
$(QMCKL_ROOT)/tools/build_qmckl_h.sh
shared: $(shared_lib)
static: $(static_lib)
all: shared static doc check
check: $(static_lib)
$(MAKE) -f Makefile.generated check
ifeq ($(HAS_CPPCHECK),1)
cppcheck:
cppcheck \
--addon=cert \
--enable=warning,style,performance,portability,information \
qmckl_*.c
endif
doc: $(ORG_SOURCE_FILES)
$(QMCKL_ROOT)/tools/build_doc.sh
clean:
- $(MAKE) -f Makefile.generated clean
- $(RM) test_qmckl_* test_qmckl.c \
$(qmckl_h) $(qmckl_f) \
qmckl_*.f90 qmckl_*.c qmckl_*.h \
Makefile.generated *.html *.txt
veryclean: clean FORCE
- $(RM) $(QMCKL_ROOT)/share/doc/qmckl/html/*.html \
$(QMCKL_ROOT)/share/doc/qmckl/text/*.txt
Makefile.generated.in: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURCE_FILES) ../tools/Building.org
$(QMCKL_ROOT)/tools/create_makefile.sh
Makefile.generated: Makefile.generated.in
cd .. ; ./config.status
.SUFFIXES: .org .c
.org.c:
$(QMCKL_ROOT)/tools/tangle.sh $<

6
src/qmckl_error.org
View File

@ -197,7 +197,7 @@ const char* qmckl_string_of_error(const qmckl_exit_code error) {
}
void qmckl_string_of_error_f(const qmckl_exit_code error, char result[<<MAX_STRING_LENGTH()>>]) {
strncpy(result, qmckl_string_of_error(error), <<MAX_STRING_LENGTH()>>);
strncpy(result, qmckl_string_of_error(error), <<MAX_STRING_LENGTH()>>-1);
}
#+end_src
@ -273,8 +273,8 @@ qmckl_set_error(qmckl_context context,
assert (ctx != NULL); /* Impossible because the context is valid. */
ctx->error.exit_code = exit_code;
strncpy(ctx->error.function, function_name, QMCKL_MAX_FUN_LEN);
strncpy(ctx->error.message, message, QMCKL_MAX_MSG_LEN);
strncpy(ctx->error.function, function_name, QMCKL_MAX_FUN_LEN-1);
strncpy(ctx->error.message, message, QMCKL_MAX_MSG_LEN-1);
}
qmckl_unlock(context);

54
tools/Building.org
View File

@ -69,7 +69,7 @@ of the package. To compile the sources, it calls the =Makefile=
located in the =src= directory. This Makefile creates the source
file from the org-mode file, as well as a Makefile,
=Makefile.generated=, dedicated to the compilation of the sources.
*** Header
We want the Makefile to be POSIX-compliant, such that it works not
@ -86,11 +86,11 @@ only with GNU Make.
Compiler variables are obtained from the configure script (see =configure.ac=)
#+begin_src makefile
CC = @CC@
FC = @FC@
CFLAGS = @CFLAGS@
FFLAGS = @FFLAGS@
LDFLAGS= @LDFLAGS@
CC = @CC@
FC = @FC@
CFLAGS = @CFLAGS@
FCFLAGS = @FCFLAGS@
LDFLAGS = @LDFLAGS@
#+end_src
@ -106,7 +106,7 @@ static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
export CC CFLAGS FC FFLAGS LIBS QMCKL_ROOT
export CC CFLAGS FC FCFLAGS LIBS QMCKL_ROOT
ORG_SOURCE_FILES=$(wildcard $(QMCKL_ROOT)/*.org)
C_SOURCE_FILES=$(patsubst %.org,%.c,$(ORG_SOURCE_FILES))
@ -160,9 +160,11 @@ veryclean: clean FORCE
- $(RM) $(QMCKL_ROOT)/share/doc/qmckl/html/*.html \
$(QMCKL_ROOT)/share/doc/qmckl/text/*.txt
Makefile.generated: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURCE_FILES) ../tools/Building.org
Makefile.generated.in: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURCE_FILES) ../tools/Building.org
$(QMCKL_ROOT)/tools/create_makefile.sh
Makefile.generated: Makefile.generated.in
cd .. ; ./config.status
.SUFFIXES: .org .c
@ -185,7 +187,7 @@ Makefile.generated: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURC
<<check_src>>
OUTPUT=Makefile.generated
OUTPUT=Makefile.generated.in
#+end_src
We start by tangling all the org-mode files.
@ -233,24 +235,30 @@ cat << EOF > ${OUTPUT}
.POSIX:
.SUFFIXES:
prefix=/usr/local
package = @PACKAGE_TARNAME@
version = @PACKAGE_VERSION@
CC=$CC
CFLAGS=$CFLAGS -I../munit/
prefix = @prefix@
FC=$FC
FFLAGS=$FFLAGS
CC = @CC@
CFLAGS= @CFLAGS@ -I../munit/ -I../include
FC = @FC@
FCFLAGS= @FCFLAGS@
OBJECT_FILES=$OBJECTS
TESTS=$TESTS
TESTS_F=$TESTS_F
LIBS=$LIBS
TESTS = $TESTS
TESTS_F = $TESTS_F
LIBS = @LIBS@
FCLIBS = @FCLIBS@
EOF
echo '
<<rules>>
<<rules>>
' >> ${OUTPUT}
#+end_src
and the rules:
@ -264,7 +272,6 @@ qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
munit=$(QMCKL_ROOT)/munit/munit.c
package=qmckl
datarootdir=$(prefix)/share
datadir=$(datarootdir)
docdir=$(datarootdir)/doc/$(package)
@ -290,14 +297,15 @@ $(static_lib): $(OBJECT_FILES)
# Test
qmckl_f.o: $(qmckl_f)
$(FC) $(FFLAGS) -c $(qmckl_f) -o $@
$(FC) $(FCFLAGS) -c $(qmckl_f) -o $@
test_qmckl: test_qmckl.c $(qmckl_h) $(static_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(munit) $(TESTS) $(TESTS_F) $(static_lib) $(LIBS) test_qmckl.c -o $@
$(CC) $(CFLAGS) $(munit) $(TESTS) $(TESTS_F) $(static_lib) $(LIBS) \
$(FCLIBS) test_qmckl.c -o $@
test_qmckl_shared: test_qmckl.c $(qmckl_h) $(shared_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) -Wl,-rpath,$(QMCKL_ROOT)/lib -L$(QMCKL_ROOT)/lib \
$(munit) $(TESTS) $(TESTS_F) -lqmckl $(LIBS) test_qmckl.c -o $@
$(munit) $(TESTS) $(TESTS_F) -lqmckl $(LIBS) $(FCLIBS) test_qmckl.c -o $@
check: test_qmckl test_qmckl_shared
./test_qmckl
@ -335,7 +343,7 @@ uninstall:
$(CC) $(CFLAGS) -c $*.c -o $*.o
.f90.o: qmckl_f.o
$(FC) $(FFLAGS) -c $*.f90 -o $*.o
$(FC) $(FCFLAGS) -c $*.f90 -o $*.o
.PHONY: check cppcheck clean all
#+end_src

35
tools/create_makefile.sh
View File

@ -13,7 +13,7 @@
OUTPUT=Makefile.generated
OUTPUT=Makefile.generated.in
@ -66,19 +66,24 @@ cat << EOF > ${OUTPUT}
.POSIX:
.SUFFIXES:
prefix=/usr/local
package = @PACKAGE_TARNAME@
version = @PACKAGE_VERSION@
CC=$CC
CFLAGS=$CFLAGS -I../munit/
prefix = @prefix@
FC=$FC
FFLAGS=$FFLAGS
CC = @CC@
CFLAGS= @CFLAGS@ -I../munit/ -I../include
FC = @FC@
FCFLAGS= @FCFLAGS@
OBJECT_FILES=$OBJECTS
TESTS=$TESTS
TESTS_F=$TESTS_F
LIBS=$LIBS
TESTS = $TESTS
TESTS_F = $TESTS_F
LIBS = @LIBS@
FCLIBS = @FCLIBS@
EOF
echo '
@ -89,7 +94,6 @@ qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
munit=$(QMCKL_ROOT)/munit/munit.c
package=qmckl
datarootdir=$(prefix)/share
datadir=$(datarootdir)
docdir=$(datarootdir)/doc/$(package)
@ -115,14 +119,15 @@ $(static_lib): $(OBJECT_FILES)
# Test
qmckl_f.o: $(qmckl_f)
$(FC) $(FFLAGS) -c $(qmckl_f) -o $@
$(FC) $(FCFLAGS) -c $(qmckl_f) -o $@
test_qmckl: test_qmckl.c $(qmckl_h) $(static_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(munit) $(TESTS) $(TESTS_F) $(static_lib) $(LIBS) test_qmckl.c -o $@
$(CC) $(CFLAGS) $(munit) $(TESTS) $(TESTS_F) $(static_lib) $(LIBS) \
$(FCLIBS) test_qmckl.c -o $@
test_qmckl_shared: test_qmckl.c $(qmckl_h) $(shared_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) -Wl,-rpath,$(QMCKL_ROOT)/lib -L$(QMCKL_ROOT)/lib \
$(munit) $(TESTS) $(TESTS_F) -lqmckl $(LIBS) test_qmckl.c -o $@
$(munit) $(TESTS) $(TESTS_F) -lqmckl $(LIBS) $(FCLIBS) test_qmckl.c -o $@
check: test_qmckl test_qmckl_shared
./test_qmckl
@ -160,7 +165,7 @@ uninstall:
$(CC) $(CFLAGS) -c $*.c -o $*.o
.f90.o: qmckl_f.o
$(FC) $(FFLAGS) -c $*.f90 -o $*.o
$(FC) $(FCFLAGS) -c $*.f90 -o $*.o
.PHONY: check cppcheck clean all
.PHONY: check cppcheck clean all
' >> ${OUTPUT}