# -*- Autoconf -*- # Process this file with autoconf to produce a configure script. # # QMCkl - Quantum Monte Carlo kernel library # # BSD 3-Clause License # # Copyright (c) 2020, TREX Center of Excellence # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # # 1. Redistributions of source code must retain the above copyright notice, this # list of conditions and the following disclaimer. # # 2. Redistributions in binary form must reproduce the above copyright notice, # this list of conditions and the following disclaimer in the documentation # and/or other materials provided with the distribution. # # 3. Neither the name of the copyright holder nor the names of its # contributors may be used to endorse or promote products derived from # this software without specific prior written permission. # # THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" # AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE # IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE # 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. AC_PREREQ([2.69]) AC_INIT([qmckl],[0.3.1],[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]) # Activate developer mode when the source is the git repository. # Otherwise, it is the source distribution and the developer mode should not be activated. AS_IF([test -d ${srcdir}/.git], [enable_maintainer_mode="yes"], [enable_maintainer_mode="no"] ) # Intel Fortran compiler AC_ARG_WITH([ifort], [AS_HELP_STRING([--with-ifort], [Use Intel Fortran compiler])], [with_ifort=$withval], [with_ifort=no]) AS_IF([test "x$with_ifort" = "xyes"], [ FC=ifort FCFLAGS="-march=native -ip -Ofast -ftz -finline -g -mkl=sequential" ]) # Intel C compiler AC_ARG_WITH([icc], [AS_HELP_STRING([--with-icc], [Use Intel C compiler])], [with_icc=$withval], [with_icc=no]) AS_IF([test "x$with_icc" = "xyes"], [ CC=icc CFLAGS="-march=native -ip -Ofast -ftz -finline -g -mkl=sequential" ]) AS_IF([test "x$with_icc.$with_ifort" = "xyes.yes"], [ ax_blas_ok="yes" ax_lapack_ok="yes" BLAS_LIBS="" LAPACK_LIBS=""]) # Default Automake variables AM_PROG_AR AM_MAINTAINER_MODE() LT_INIT AC_CONFIG_SRCDIR([configure.ac]) AC_CONFIG_HEADERS([include/config.h]) AC_CONFIG_MACRO_DIR([m4]) 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_SUBST([VERSION_MAJOR]) AC_SUBST([VERSION_MINOR]) AC_SUBST([VERSION_PATCH]) AM_SILENT_RULES(yes) AC_LANG(C) # Checks for programs. AC_PROG_CC AC_PROG_F77 # Make sure the c compiler supports C99 m4_version_prereq([2.70],[], [AC_PROG_CC_C99]) AS_IF([test "x$ac_cv_prog_cc_c99" = "xno"], [AC_MSG_ERROR([The compiler does not support C99])]) AC_PROG_CC_C_O AM_PROG_CC_C_O AC_PROG_FC AC_PROG_FC_C_O AC_FC_PP_DEFINE AC_FC_SRCEXT([F90]) AC_FC_FREEFORM AC_PROG_INSTALL AC_PROG_LN_S PKG_PROG_PKG_CONFIG([]) # Checks for libraries. PKG_LIBS="" PKG_CFLAGS="" PKG_LIBS2="" PKG_CFLAGS2="" AC_FC_LIBRARY_LDFLAGS AC_CHECK_LIB([m], [sqrt]) AC_CHECK_HEADERS([assert.h errno.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h]) ## pthread AC_CHECK_LIB([pthread], [pthread_create]) # OpenMP AC_ARG_WITH(openmp, [AS_HELP_STRING([--without-openmp],[deactivate OpenMP])], with_omp=$withval, with_omp=yes) 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} ${OPENMP_FCFLAGS}" fi # CHAMELEON #AC_ARG_WITH(chameleon, # AS_HELP_STRING([--without-chameleon], # [Do not use Chameleon. Default: auto-detect]), # [case "$with_chameleon" in # no) # : ;; # yes) # PKG_CHECK_MODULES([LIBCHAMELEON],[chameleon >= 1.0.0], # [PKG_CFLAGS="$PKG_CFLAGS $LIBCHAMELEON_CFLAGS" # PKG_LIBS2="$PKG_LIBS2 $LIBCHAMELEON_LIBS"] # ,[ # # ## something went wrong. # ## try to find the package without pkg-config # # ## check that the library is actually new enough. # ## by testing for a 1.0.0+ function which we use # AC_CHECK_LIB(chameleon,CHAMELEON_finalize,[LIBCHAMELEON_LIBS="-lchameleon"]) # ]) # AH_TEMPLATE(HAVE_CHAMELEON,[Chameleon support is available]) # ;; # *) # if test ! -d "$withval" ; then # AC_MSG_ERROR([--with-chameleon argument 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 # #AC_MSG_NOTICE([CHAMELEON library support: ${with_CHAMELEON:=auto} ${LIBCHAMELEON_PATH} ${LIBCHAMELEON_LIBS}]) # TREXIO AC_ARG_WITH([trexio], [AS_HELP_STRING([--without-trexio], [disable support for TREXIO])], [with_trexio=$withval], [with_trexio=yes]) AS_CASE([$with_trexio], [no], [], [yes], [AC_CHECK_LIB([trexio], [trexio_open], [], [PKG_CHECK_MODULES([TREXIO], [trexio]) ]) CFLAGS="$CFLAGS $TREXIO_CFLAGS" LIBS="$LIBS $TREXIO_LIBS" AC_CHECK_HEADERS([trexio.h], [], [AC_MSG_ERROR("trexio.h not found")]) AC_DEFINE([HAVE_TREXIO], [1], [Define if TREXIO support is available]) ARGS="${ARGS} trexio"], [AS_IF([test ! -d "$withval"], [AC_MSG_ERROR([--with-trexio=$withval: argument is not a directory])]) TREXIO_LIBS="-L$with_trexio/lib -ltrexio" TREXIO_CFLAGS="-I$with_trexio/include" CFLAGS="$CFLAGS $TREXIO_CFLAGS" LIBS="$LIBS $TREXIO_LIBS" AC_CHECK_HEADERS([trexio.h], [], [AC_MSG_ERROR("trexio.h not found")]) AC_DEFINE([HAVE_TREXIO], [1], [Define if TREXIO support is available]) ARGS="${ARGS} trexio" ]) PKG_CFLAGS2="$PKG_CFLAGS2 $TREXIO_CFLAGS" PKG_LIBS2="$PKG_LIBS2 $TREXIO_LIBS" # QMCKLDGEMM AC_ARG_WITH([qmckldgemm], [AS_HELP_STRING([--with-qmckldgemm], [enable support for QMCKL DGEMM])], [with_qmckldgemm=$withval], [with_qmckldgemm=no]) AS_CASE([$with_qmckldgemm], [no], [], [yes], [AC_CHECK_LIB([qmckldgemm], [qmckl_packed_matrix_create], [], [PKG_CHECK_MODULES([QMCKLDGEMM], [qmckldgemm]) ]) CFLAGS="$CFLAGS $QMCKLDGEMM_CFLAGS" LIBS="$LIBS $QMCKLDGEMM_LIBS" AC_CHECK_HEADERS([qmckl_dgemm.h], [], [AC_MSG_ERROR("qmckl_dgemm.h not found")]) AC_DEFINE([HAVE_QMCKLDGEMM], [1], [Define if QMCKL DGEMM support is available]) ARGS="${ARGS} qmckldgemm"], [AS_IF([test ! -d "$withval"], [AC_MSG_ERROR([--with-qmckldgemm=$withval: argument is not a directory])]) QMCKLDGEMM_LIBS="-L$with_qmckldgemm/lib -lqmckldgemm" QMCKLDGEMM_CFLAGS="-I$with_qmckldgemm/include" CFLAGS="$CFLAGS $QMCKLDGEMM_CFLAGS" LIBS="$LIBS $QMCKLDGEMM_LIBS" echo $CFLAGS AC_CHECK_HEADERS([qmckl_dgemm.h], [], [AC_MSG_ERROR("qmckl_dgemm.h not found")]) AC_DEFINE([HAVE_QMCKLDGEMM], [1], [Define if QMCKL DGEMM support is available]) ARGS="${ARGS} qmckldgemm" ]) PKG_CFLAGS2="$PKG_CFLAGS2 $QMCKLDGEMM_CFLAGS" PKG_LIBS2="$PKG_LIBS2 $QMCKLDGEMM_LIBS" ## BLAS AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])]) ## LAPACK AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])]) AS_IF([test "$BLAS_LIBS" = "$LAPACK_LIBS"], [BLAS_LIBS=""]) # Specific options required with some compilers AS_CASE([$FC], [*ifort*], [FCFLAGS="$FCFLAGS -nofor-main"], [*nvfortran*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"], [*pgf90*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"], [*pgf77*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"], []) AS_CASE([$CC], [*gcc*], [CFLAGS="$CFLAGS -fPIC"], [*nvc*], [CFLAGS="$CFLAGS -fPIC"], [*pgcc*], [CFLAGS="$CFLAGS -fPIC"], []) # Options AC_ARG_ENABLE([hpc], [AS_HELP_STRING([--enable-hpc], [Use HPC-optimized functions])], [enable_hpc=$enableval], [enable_hpc=no]) AS_IF([test "x$enable_hpc" = "xyes"], [AC_DEFINE([HAVE_HPC], [1], [Activate HPC routines])]) AC_ARG_ENABLE([doc], [AS_HELP_STRING([--disable-doc], [Disable documentation])], [enable_doc=$enableval], [enable_doc=yes]) AM_CONDITIONAL([HAVE_DOC],[test "x$enable_doc" = "xyes"]) # Enable Verificarlo tests AC_ARG_ENABLE([vfc_ci], [AS_HELP_STRING([--enable-vfc_ci], [Build the library with vfc_ci support])], [enable_vfc_ci=$enableval], [enable_vfc_ci=no]) AS_IF([test "x$enable_vfc_ci" = "xyes"], [FCFLAGS="-D VFC_CI $FCFLAGS" CFLAGS="-D VFC_CI $CFLAGS" LIBS="$LIBS -lvfc_probes"]) 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 $FCFLAGS" fi ## Enable GPU offloading # GPU offloading AC_ARG_ENABLE(gpu, [AS_HELP_STRING([--enable-gpu],[openmp|openacc : Use GPU-offloaded functions])], enable_gpu=$enableval, enable_gpu=no) AS_IF([test "x$enable_gpu" = "xyes"], [enable_gpu="openmp"]) # OpenMP offloading HAVE_OPENMP_OFFLOAD="no" AS_IF([test "x$enable_gpu" = "xopenmp"], [ AC_DEFINE([HAVE_OPENMP_OFFLOAD], [1], [If defined, activate OpenMP-offloaded routines]) HAVE_OPENMP_OFFLOAD="yes" AS_CASE([$CC], [*gcc*], [CFLAGS="$CFLAGS -fopenmp"], [*nvc*], [CFLAGS="$CFLAGS -mp=gpu"], []) AS_CASE([$FC], [*gfortran*], [FCFLAGS="$FCFLAGS -fopenmp"], [*nvfortran*], [FCFLAGS="$FCFLAGS -mp=gpu"], []) ] ) # OpenMP offloading HAVE_OPENACC_OFFLOAD="no" AS_IF([test "x$enable_gpu" = "xopenacc"], [ AC_DEFINE([HAVE_OPENACC_OFFLOAD], [1], [If defined, activate OpenACC-offloaded routines]) HAVE_OPENACC_OFFLOAD="yes" AS_CASE([$CC], [*gcc*], [CFLAGS="$CFLAGS -fopenacc"], [*nvc*], [CFLAGS="$CFLAGS -acc=gpu"], []) AS_CASE([$FC], [*gfortran*], [FCFLAGS="$FCFLAGS -fopenacc"], [*nvfortran*], [FCFLAGS="$FCFLAGS -acc=gpu"], []) ] ]) # cuBLAS offloading AC_ARG_WITH(cublas, [AS_HELP_STRING([--with-cublas],[Use cuBLAS-offloaded functions])], HAVE_CUBLAS_OFFLOAD=$withval, HAVE_CUBLAS_OFFLOAD=no) AS_IF([test "x$HAVE_CUBLAS_OFFLOAD" = "xyes"], [ AC_DEFINE([HAVE_CUBLAS_OFFLOAD], [1], [If defined, activate cuBLAS-offloaded routines]) HAVE_OPENACC_OFFLOAD="yes" AS_CASE([$CC], [*gcc*], [CFLAGS="$CFLAGS -fopenmp" LDFLAGS="-lcublas"], [*nvc*], [CFLAGS="$CFLAGS -mp=gpu -cudalib=cublas"], []) AS_CASE([$FC], [*gfortran*], [FCFLAGS="$FCFLAGS -fopenmp"], [*nvfortran*], [FCFLAGS="$FCFLAGS -mp=gpu -cudalib=cublas"], []) ] ]) AC_ARG_ENABLE(malloc-trace, [AS_HELP_STRING([--enable-malloc-trace],[use debug malloc/free])], ok=$enableval, ok=no) AS_IF([test "x$ok" = "xyes"], [ AC_DEFINE(MALLOC_TRACE,"malloc_trace.dat",[Define to use debugging malloc/free]) ARGS="${ARGS} malloc-trace" ]) AC_ARG_ENABLE(prof, [AS_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no) AS_IF([test "x$ok" = "xyes"], [ CFLAGS="${CFLAGS} -pg" AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool]) ARGS="${ARGS} prof" ]) AC_ARG_WITH(efence, [AS_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no) AS_IF([test "x$ok" = "xyes"], [ AC_CHECK_LIB([efence], [malloc]) ARGS="${ARGS} efence" ]) ## AC_ARG_ENABLE(debug, [AS_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no) AS_IF([test "x$ok" = "xyes"], [ AS_IF([test "x$GCC" = "xyes"], [ CPPFLAGS="-Wdate-time -D_FORTIFY_SOURCE=2" CFLAGS="$CFLAGS \ -g -Wall -W -Wbad-function-cast -Wcast-qual -Warray-bounds -Wdisabled-optimization \ -fsanitize=address -fno-omit-frame-pointer -fstack-protector-strong -Wformat -Werror=format-security \ -Wpointer-arith -Wcast-align -Wpedantic -Wextra -Walloc-zero -Werror \ " LDFLAGS="$LDFLAGS -fsanitize=address" ]) AS_IF([test "x$GFC" = "xyes"], [ FCFLAGS="$FCFLAGS \ -g -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" ]) AS_IF([test "x$FC" = "xifort"], [ FCFLAGS="$FCFLAGS \ -traceback -check all -debug all -fpe-all=0 -implicitnone" ]) AC_DEFINE(DEBUG,1,[Define to turn on debugging checks]) ARGS="${ARGS} debug" ]) # Checks for header files. ## qmckl AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h]) # Checks for typedefs, structures, and compiler characteristics. ## qmckl AC_CHECK_HEADER_STDBOOL AC_TYPE_INT32_T AC_TYPE_INT64_T AC_TYPE_SIZE_T AC_TYPE_UINT32_T AC_TYPE_UINT64_T # Checks for library functions. ## qmckl # AC_FUNC_MALLOC AC_CHECK_FUNCS([memset strerror]) # Development mode QMCKL_DEVEL= AS_IF([test "x$enable_maintainer_mode" = "xyes"], [QMCKL_DEVEL=" -- Developer mode"]) AM_CONDITIONAL([QMCKL_DEVEL],[test "x$QMCKL_DEVEL" != x]) AC_ARG_ENABLE([python], [AS_HELP_STRING([--disable-python], [Disable building Python binding])], [enable_python=$enableval], [enable_python=yes]) AM_CONDITIONAL([HAVE_PYTHON],[test "x$enable_python" = "xyes"]) AS_IF([test "x${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]) AS_IF([test "x$enable_python" = "xyes"], [ AX_PKG_SWIG(4.0.0, [], AC_MSG_WARN([SWIG is required to build Python API.]) ) ] ) ]) #PKG-CONFIG #mkl-dynamic-lp64-seq PKG_LIBS="$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} PYTHON..........: ${enable_python} QMCKL_DGEMM.....: ${with_qmckldgemm} TREXIO..........: ${with_trexio} Package features: ${ARGS} Now type 'make @<:@@:>@' where the optional is: all - build the library check - run tests install - install ${PACKAGE_NAME} --------------------------------------------------"