mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-08-24 22:21:46 +02:00
512 lines
16 KiB
Plaintext
512 lines
16 KiB
Plaintext
# -*- Autoconf -*-
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# Process this file with autoconf to produce a configure script.
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#
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# QMCkl - Quantum Monte Carlo kernel library
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#
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# BSD 3-Clause License
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#
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# Copyright (c) 2020, TREX Center of Excellence
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# All rights reserved.
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#
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# Redistribution and use in source and binary forms, with or without
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# 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
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# 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,
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# this list of conditions and the following disclaimer in the documentation
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# 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
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# contributors may be used to endorse or promote products derived from
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# 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"
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# AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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# IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
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# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
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# FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
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# DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
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# SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
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# CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
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# OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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# 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],[0.3.1],[https://github.com/TREX-CoE/qmckl/issues],[],[https://trex-coe.github.io/qmckl/index.html])
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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.
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# Otherwise, it is the source distribution and the developer mode should not be activated.
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AS_IF([test -d ${srcdir}/.git],
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[enable_maintainer_mode="yes"],
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[enable_maintainer_mode="no"]
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)
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# Intel Fortran compiler
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AC_ARG_WITH([ifort],
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[AS_HELP_STRING([--with-ifort],
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[Use Intel Fortran compiler])],
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[with_ifort=$withval],
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[with_ifort=no])
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AS_IF([test "x$with_ifort" = "xyes"], [
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FC=ifort
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FCFLAGS="-march=native -ip -Ofast -ftz -finline -g -mkl=sequential" ])
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# Intel C compiler
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AC_ARG_WITH([icc],
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[AS_HELP_STRING([--with-icc],
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[Use Intel C compiler])],
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[with_icc=$withval],
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[with_icc=no])
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AS_IF([test "x$with_icc" = "xyes"], [
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CC=icc
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CFLAGS="-march=native -ip -Ofast -ftz -finline -g -mkl=sequential" ])
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AS_IF([test "x$with_icc.$with_ifort" = "xyes.yes"], [
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ax_blas_ok="yes"
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ax_lapack_ok="yes"
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BLAS_LIBS=""
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LAPACK_LIBS=""])
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# Default Automake variables
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AM_PROG_AR
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AM_MAINTAINER_MODE()
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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`
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VERSION_MINOR=`echo ${PACKAGE_VERSION} | cut -d. -f2`
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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])
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AC_DEFINE_UNQUOTED([QMCKL_VERSION_MINOR], [$VERSION_MINOR], [minor version])
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AC_DEFINE_UNQUOTED([QMCKL_VERSION_PATCH], [$VERSION_PATCH], [patch version])
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AC_SUBST([VERSION_MAJOR])
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AC_SUBST([VERSION_MINOR])
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AC_SUBST([VERSION_PATCH])
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AM_SILENT_RULES(yes)
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AC_LANG(C)
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# Checks for programs.
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AC_PROG_CC
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AC_PROG_F77
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# Make sure the c compiler supports C99
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m4_version_prereq([2.70],[], [AC_PROG_CC_C99])
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AS_IF([test "x$ac_cv_prog_cc_c99" = "xno"], [AC_MSG_ERROR([The compiler does not support C99])])
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AC_PROG_CC_C_O
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AM_PROG_CC_C_O
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AC_PROG_FC
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AC_PROG_FC_C_O
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AC_FC_PP_DEFINE
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AC_FC_SRCEXT([F90])
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AC_FC_FREEFORM
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AC_PROG_INSTALL
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AC_PROG_LN_S
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PKG_PROG_PKG_CONFIG([])
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# Checks for libraries.
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PKG_LIBS=""
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PKG_CFLAGS=""
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PKG_LIBS2=""
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PKG_CFLAGS2=""
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AC_FC_LIBRARY_LDFLAGS
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AC_CHECK_LIB([m], [sqrt])
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AC_CHECK_HEADERS([assert.h errno.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h])
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## pthread
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AC_CHECK_LIB([pthread], [pthread_create])
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# OpenMP
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AC_ARG_WITH(openmp, [AS_HELP_STRING([--without-openmp],[deactivate OpenMP])], with_omp=$withval, with_omp=yes)
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if test "x$with_omp" = xyes; then
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AC_DEFINE([HAVE_OPENMP], [1], [Define to use OpenMP threading.])
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AX_OPENMP([],
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[AC_MSG_ERROR([Could not find OpenMP flags; configure with --without-openmp])])
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CFLAGS="${CFLAGS} ${OPENMP_CFLAGS}"
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FCFLAGS="${CFLAGS} ${OPENMP_FCFLAGS}"
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fi
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# CHAMELEON
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#AC_ARG_WITH(chameleon,
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# AS_HELP_STRING([--without-chameleon],
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# [Do not use Chameleon. Default: auto-detect]),
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# [case "$with_chameleon" in
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# no)
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# : ;;
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# yes)
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# PKG_CHECK_MODULES([LIBCHAMELEON],[chameleon >= 1.0.0],
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# [PKG_CFLAGS="$PKG_CFLAGS $LIBCHAMELEON_CFLAGS"
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# PKG_LIBS2="$PKG_LIBS2 $LIBCHAMELEON_LIBS"]
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# ,[
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#
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# ## something went wrong.
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# ## try to find the package without pkg-config
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#
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# ## check that the library is actually new enough.
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# ## by testing for a 1.0.0+ function which we use
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# AC_CHECK_LIB(chameleon,CHAMELEON_finalize,[LIBCHAMELEON_LIBS="-lchameleon"])
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# ])
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# AH_TEMPLATE(HAVE_CHAMELEON,[Chameleon support is available])
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# ;;
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# *)
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# if test ! -d "$withval" ; then
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# AC_MSG_ERROR([--with-chameleon argument does not point to a directory])
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# fi
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# LIBCHAMELEON_LIBS="-L$with_chameleon/lib -lchameleon -lchameleon_starpu -lhqr -lcoreblas"
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# LIBCHAMELEON_CFLAGS="-I$with_chameleon/include $CFLAGS"
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# LIBCHAMELEON_CPPFLAGS="-I$with_chameleon/include $CPPFLAGS"
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# esac
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# ])
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#
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#if test "x$LIBCHAMELEON_LIBS" != "x" ; then
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# LIBS="$LIBS $LIBCHAMELEON_LIBS"
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# CFLAGS="$CFLAGS $LIBCHAMELEON_CFLAGS"
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# CPPFLAGS="$CPPFLAGS $LIBCHAMELEON_CPPFLAGS"
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# AC_CHECK_HEADERS([chameleon.h], [], [AC_MSG_ERROR("chamelon.h not found")])
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# AC_DEFINE_UNQUOTED([HAVE_CHAMELEON],1,[CHAMELEON support is available])
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#fi
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#
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#AC_MSG_NOTICE([CHAMELEON library support: ${with_CHAMELEON:=auto} ${LIBCHAMELEON_PATH} ${LIBCHAMELEON_LIBS}])
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# TREXIO
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AC_ARG_WITH([trexio],
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[AS_HELP_STRING([--without-trexio],
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[disable support for TREXIO])],
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[with_trexio=$withval],
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[with_trexio=yes])
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AS_CASE([$with_trexio],
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[no], [],
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[yes],
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[AC_CHECK_LIB([trexio], [trexio_open], [],
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[PKG_CHECK_MODULES([TREXIO], [trexio]) ])
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CFLAGS="$CFLAGS $TREXIO_CFLAGS"
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LIBS="$LIBS $TREXIO_LIBS"
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AC_CHECK_HEADERS([trexio.h], [],
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[AC_MSG_ERROR("trexio.h not found")])
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AC_DEFINE([HAVE_TREXIO], [1], [Define if TREXIO support is available])
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ARGS="${ARGS} trexio"],
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[AS_IF([test ! -d "$withval"],
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[AC_MSG_ERROR([--with-trexio=$withval: argument is not a directory])])
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TREXIO_LIBS="-L$with_trexio/lib -ltrexio"
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TREXIO_CFLAGS="-I$with_trexio/include"
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CFLAGS="$CFLAGS $TREXIO_CFLAGS"
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LIBS="$LIBS $TREXIO_LIBS"
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AC_CHECK_HEADERS([trexio.h], [],
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[AC_MSG_ERROR("trexio.h not found")])
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AC_DEFINE([HAVE_TREXIO], [1], [Define if TREXIO support is available])
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ARGS="${ARGS} trexio"
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])
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PKG_CFLAGS2="$PKG_CFLAGS2 $TREXIO_CFLAGS"
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PKG_LIBS2="$PKG_LIBS2 $TREXIO_LIBS"
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# QMCKLDGEMM
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AC_ARG_WITH([qmckldgemm],
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[AS_HELP_STRING([--with-qmckldgemm],
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[enable support for QMCKL DGEMM])],
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[with_qmckldgemm=$withval],
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[with_qmckldgemm=no])
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AS_CASE([$with_qmckldgemm],
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[no], [],
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[yes],
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[AC_CHECK_LIB([qmckldgemm], [qmckl_packed_matrix_create], [],
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[PKG_CHECK_MODULES([QMCKLDGEMM], [qmckldgemm]) ])
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CFLAGS="$CFLAGS $QMCKLDGEMM_CFLAGS"
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LIBS="$LIBS $QMCKLDGEMM_LIBS"
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AC_CHECK_HEADERS([qmckl_dgemm.h], [],
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[AC_MSG_ERROR("qmckl_dgemm.h not found")])
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AC_DEFINE([HAVE_QMCKLDGEMM], [1], [Define if QMCKL DGEMM support is available])
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ARGS="${ARGS} qmckldgemm"],
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[AS_IF([test ! -d "$withval"],
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[AC_MSG_ERROR([--with-qmckldgemm=$withval: argument is not a directory])])
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QMCKLDGEMM_LIBS="-L$with_qmckldgemm/lib -lqmckldgemm"
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QMCKLDGEMM_CFLAGS="-I$with_qmckldgemm/include"
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CFLAGS="$CFLAGS $QMCKLDGEMM_CFLAGS"
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LIBS="$LIBS $QMCKLDGEMM_LIBS"
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echo $CFLAGS
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AC_CHECK_HEADERS([qmckl_dgemm.h], [],
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[AC_MSG_ERROR("qmckl_dgemm.h not found")])
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AC_DEFINE([HAVE_QMCKLDGEMM], [1], [Define if QMCKL DGEMM support is available])
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ARGS="${ARGS} qmckldgemm"
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])
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PKG_CFLAGS2="$PKG_CFLAGS2 $QMCKLDGEMM_CFLAGS"
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PKG_LIBS2="$PKG_LIBS2 $QMCKLDGEMM_LIBS"
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## BLAS
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AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])])
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## LAPACK
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AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])])
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AS_IF([test "$BLAS_LIBS" = "$LAPACK_LIBS"], [BLAS_LIBS=""])
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# Specific options required with some compilers
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AS_CASE([$FC],
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[*ifort*], [FCFLAGS="$FCFLAGS -nofor-main"],
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[*nvfortran*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"],
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[*pgf90*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"],
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[*pgf77*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"],
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[])
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AS_CASE([$CC],
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[*gcc*], [CFLAGS="$CFLAGS -fPIC"],
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[*nvc*], [CFLAGS="$CFLAGS -fPIC"],
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[*pgcc*], [CFLAGS="$CFLAGS -fPIC"],
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[])
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# Options
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AC_ARG_ENABLE([hpc],
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[AS_HELP_STRING([--enable-hpc],
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[Use HPC-optimized functions])],
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[enable_hpc=$enableval],
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[enable_hpc=no])
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AS_IF([test "x$enable_hpc" = "xyes"],
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[AC_DEFINE([HAVE_HPC], [1], [Activate HPC routines])])
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AC_ARG_ENABLE([doc],
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[AS_HELP_STRING([--disable-doc],
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[Disable documentation])],
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[enable_doc=$withval],
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[enable_doc=yes])
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AM_CONDITIONAL([HAVE_DOC],[test "x$enable_doc" = "xyes"])
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# Enable Verificarlo tests
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AC_ARG_ENABLE([vfc_ci],
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[AS_HELP_STRING([--enable-vfc_ci],
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[Build the library with vfc_ci support])],
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[enable_vfc_ci=$enableval],
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[enable_vfc_ci=no])
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AS_IF([test "x$enable_vfc_ci" = "xyes"],
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[FCFLAGS="-D VFC_CI $FCFLAGS"
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CFLAGS="-D VFC_CI $CFLAGS"
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LIBS="$LIBS -lvfc_probes"])
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AM_CONDITIONAL([VFC_CI], [test "x$vfc_ci" = "xtrue"])
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if test "$FC" = "verificarlo-f"; then
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AC_MSG_NOTICE(verificarlo-f detected)
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# Arguments order is important here
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FCFLAGS="-Mpreprocess $FCFLAGS"
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fi
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## Enable GPU offloading
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# GPU offloading
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AC_ARG_ENABLE(gpu, [AS_HELP_STRING([--enable-gpu],[openmp|openacc : Use GPU-offloaded functions])], enable_gpu=$enableval, enable_gpu=no)
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AS_IF([test "x$enable_gpu" = "xyes"], [enable_gpu="openmp"])
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# OpenMP offloading
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HAVE_OPENMP_OFFLOAD="no"
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AS_IF([test "x$enable_gpu" = "xopenmp"], [
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AC_DEFINE([HAVE_OPENMP_OFFLOAD], [1], [If defined, activate OpenMP-offloaded routines])
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HAVE_OPENMP_OFFLOAD="yes"
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AS_CASE([$CC],
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[*gcc*], [CFLAGS="$CFLAGS -fopenmp"],
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[*nvc*], [CFLAGS="$CFLAGS -mp=gpu"],
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[])
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AS_CASE([$FC],
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[*gfortran*], [FCFLAGS="$FCFLAGS -fopenmp"],
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[*nvfortran*], [FCFLAGS="$FCFLAGS -mp=gpu"],
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[])
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]
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)
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# OpenMP offloading
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HAVE_OPENACC_OFFLOAD="no"
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AS_IF([test "x$enable_gpu" = "xopenacc"], [
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AC_DEFINE([HAVE_OPENACC_OFFLOAD], [1], [If defined, activate OpenACC-offloaded routines])
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HAVE_OPENACC_OFFLOAD="yes"
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AS_CASE([$CC],
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[*gcc*], [CFLAGS="$CFLAGS -fopenacc"],
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[*nvc*], [CFLAGS="$CFLAGS -acc=gpu"],
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[])
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AS_CASE([$FC],
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[*gfortran*], [FCFLAGS="$FCFLAGS -fopenacc"],
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[*nvfortran*], [FCFLAGS="$FCFLAGS -acc=gpu"],
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[])
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]
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])
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# cuBLAS offloading
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AC_ARG_WITH(cublas, [AS_HELP_STRING([--with-cublas],[Use cuBLAS-offloaded functions])], HAVE_CUBLAS_OFFLOAD=$withval, HAVE_CUBLAS_OFFLOAD=no)
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AS_IF([test "x$HAVE_CUBLAS_OFFLOAD" = "xyes"], [
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AC_DEFINE([HAVE_CUBLAS_OFFLOAD], [1], [If defined, activate cuBLAS-offloaded routines])
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HAVE_OPENACC_OFFLOAD="yes"
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AS_CASE([$CC],
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[*gcc*], [CFLAGS="$CFLAGS -fopenmp"
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LDFLAGS="-lcublas"],
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[*nvc*], [CFLAGS="$CFLAGS -mp=gpu -cudalib=cublas"],
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[])
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AS_CASE([$FC],
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[*gfortran*], [FCFLAGS="$FCFLAGS -fopenmp"],
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[*nvfortran*], [FCFLAGS="$FCFLAGS -mp=gpu -cudalib=cublas"],
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[])
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]
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])
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AC_ARG_ENABLE(malloc-trace, [AS_HELP_STRING([--enable-malloc-trace],[use debug malloc/free])], ok=$enableval, ok=no)
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AS_IF([test "x$ok" = "xyes"], [
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AC_DEFINE(MALLOC_TRACE,"malloc_trace.dat",[Define to use debugging malloc/free])
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ARGS="${ARGS} malloc-trace"
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])
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AC_ARG_ENABLE(prof, [AS_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no)
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AS_IF([test "x$ok" = "xyes"], [
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CFLAGS="${CFLAGS} -pg"
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AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool])
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ARGS="${ARGS} prof"
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])
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AC_ARG_WITH(efence, [AS_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no)
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AS_IF([test "x$ok" = "xyes"], [
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AC_CHECK_LIB([efence], [malloc])
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ARGS="${ARGS} efence"
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])
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##
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AC_ARG_ENABLE(debug, [AS_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
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AS_IF([test "x$ok" = "xyes"], [
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AS_IF([test "x$GCC" = "xyes"], [
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CPPFLAGS="-Wdate-time -D_FORTIFY_SOURCE=2"
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CFLAGS="$CFLAGS \
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-g -Wall -W -Wbad-function-cast -Wcast-qual -Warray-bounds -Wdisabled-optimization \
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-fsanitize=address -fno-omit-frame-pointer -fstack-protector-strong -Wformat -Werror=format-security \
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-Wpointer-arith -Wcast-align -Wpedantic -Wextra -Walloc-zero -Werror \
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"
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LDFLAGS="$LDFLAGS -fsanitize=address"
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])
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AS_IF([test "x$GFC" = "xyes"], [
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FCFLAGS="$FCFLAGS \
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-g -fcheck=all -Waliasing -Wampersand -Wconversion \
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-Wsurprising -ffpe-trap=zero,overflow,underflow \
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-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
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-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan"
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])
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AS_IF([test "x$FC" = "xifort"], [
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FCFLAGS="$FCFLAGS \
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-traceback -check all -debug all -fpe-all=0 -implicitnone"
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])
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AC_DEFINE(DEBUG,1,[Define to turn on debugging checks])
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ARGS="${ARGS} debug"
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])
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# Checks for header files.
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## qmckl
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AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
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# Checks for typedefs, structures, and compiler characteristics.
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|
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|
## qmckl
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|
AC_CHECK_HEADER_STDBOOL
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|
AC_TYPE_INT32_T
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|
AC_TYPE_INT64_T
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|
AC_TYPE_SIZE_T
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|
AC_TYPE_UINT32_T
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|
AC_TYPE_UINT64_T
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|
|
|
|
|
# Checks for library functions.
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|
|
|
## qmckl
|
|
# AC_FUNC_MALLOC
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|
AC_CHECK_FUNCS([memset strerror])
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|
|
|
# Development mode
|
|
QMCKL_DEVEL=
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|
AS_IF([test "x$enable_maintainer_mode" = "xyes"],
|
|
[QMCKL_DEVEL=" -- Developer mode"])
|
|
|
|
AM_CONDITIONAL([QMCKL_DEVEL],[test "x$QMCKL_DEVEL" != x])
|
|
|
|
AS_IF([test "x${QMCKL_DEVEL}" != "x"], [
|
|
AC_PROG_AWK
|
|
AM_PATH_PYTHON
|
|
|
|
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
|
|
AS_IF([test "x${EMACS}" = "xno"],
|
|
[AC_MSG_ERROR([
|
|
--------------------------------------
|
|
Error: Emacs is required for org-mode.
|
|
--------------------------------------
|
|
])])
|
|
|
|
AC_CHECK_PROGS([HAS_CPPCHECK],[cppcheck],[no])
|
|
AS_IF([test "x${HAS_CPPCHECK}" != "xno"], [HAS_CPPCHECK=1])
|
|
|
|
AX_PKG_SWIG(4.0.0, [], AC_MSG_WARN([SWIG is required to build Python API.]) )
|
|
])
|
|
|
|
|
|
#PKG-CONFIG
|
|
#mkl-dynamic-lp64-seq
|
|
|
|
PKG_LIBS="$PKG_LIBS $LIBS"
|
|
LIBS="$BLAS_LIBS $LAPACK_LIBS $PKG_LIBS"
|
|
CFLAGS="$CFLAGS $PKG_CFLAGS"
|
|
PKG_LIBS="$PKG_LIBS $PKG_LIBS2"
|
|
PKG_CFLAGS="$PKG_CFLAGS $PKG_CFLAGS2"
|
|
AC_SUBST([PKG_LIBS])
|
|
AC_SUBST([PKG_CFLAGS])
|
|
AC_SUBST([HAS_CPPCHECK])
|
|
|
|
|
|
AC_CONFIG_FILES([Makefile
|
|
pkgconfig/qmckl.pc
|
|
])
|
|
|
|
|
|
AC_OUTPUT
|
|
|
|
echo \
|
|
"-------------------------------------------------
|
|
|
|
${PACKAGE_NAME} Version ${PACKAGE_VERSION} ${QMCKL_DEVEL}
|
|
|
|
Prefix: '${prefix}'.
|
|
|
|
CC..............: ${CC}
|
|
CFLAGS..........: ${CFLAGS}
|
|
CPPFLAGS........: ${CPPFLAGS}
|
|
FC..............: ${FC}
|
|
FCFLAGS.........: ${FCFLAGS}
|
|
HPC version.....: ${HAVE_HPC}
|
|
LDFLAGS:........: ${LDFLAGS}
|
|
LIBS............: ${LIBS}
|
|
OPENMP..........: ${with_omp}
|
|
QMCKL_DGEMM.....: ${with_qmckldgemm}
|
|
TREXIO..........: ${with_trexio}
|
|
|
|
Package features:
|
|
${ARGS}
|
|
|
|
Now type 'make @<:@<target>@:>@'
|
|
where the optional <target> is:
|
|
all - build the library
|
|
check - run tests
|
|
install - install ${PACKAGE_NAME}
|
|
--------------------------------------------------"
|