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configure.ac
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# -*- Autoconf -*-
#
# Copyright (C) 2005-2024 ABINIT Group (Yann Pouillon)
#
# This file is part of the ABINIT software package. For license information,
# please see the COPYING file in the top-level directory of the ABINIT source
# distribution.
#
# ---------------------------------------------------------------------------- #
#
# IMPORTANT NOTE
#
# Please DO NOT EDIT this file unless you REALLY know what you are doing.
# Everything is important, in particular the order of the various commands
# executed here. YOU HAVE BEEN WARNED !
#
# ---------------------------------------------------------------------------- #
#
# Autoconf & Automake startup
#
# Enhance help message
m4_divert_text([HELP_END], [
In order to facilitate the configuration of Abinit, you can save the options
you regularly use into a file. For full instructions, please consult the
doc/build/config-template.ac9 file in this directory tree.
A lot more documentation on how to build and run Abinit is available on the
Abinit Wiki. Please consult it at https://wiki.abinit.org/ whenever needed.
Examples of configuration files for clusters are available at
https://github.com/abinit/abiconfig.
])
# Initialize Autoconf
AC_PREREQ(2.59)
AC_INIT([ABINIT],
[m4_esyscmd([config/scripts/git-version-gen .tarball-version])],
[https://bugs.launchpad.net/abinit/],
[abinit])
AC_REVISION([Autotools support for ABINIT 9])
AC_CONFIG_AUX_DIR([config/gnu])
AC_CONFIG_MACRO_DIR([config/m4])
AC_CONFIG_SRCDIR([src/98_main/abinit.F90])
AC_CONFIG_HEADERS([config.h])
# ---------------------------------------------------------------------------- #
#
# Startup
#
ABI_MSG_SECTION([Basic initialization])
# Initial setup
AC_CANONICAL_TARGET
# Disable pax to initialise Automake because it causes 'make dist' to fail
alias pax='/bin/false'
AM_INIT_AUTOMAKE([1.10 tar-ustar])
unalias pax
# Early Abinit setup - the order is important!
ABI_INIT_DIRS
ABI_INIT_VERSION
ABI_INIT_CPU_INFO
ABI_INIT_OS_INFO
ABI_INIT_HEADER
ABI_INIT_ARCH
# Check for common programs
AC_PROG_MAKE_SET
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_SED
AC_PROG_AWK
AC_PROG_GREP
AC_PATH_PROG(BOURNE_SHELL, sh, /bin/sh)
AC_PATH_PROG(MV, mv, /bin/false)
AC_PATH_PROG(PERL, perl, /bin/false)
AC_PATH_PROG(RM, rm, /bin/false)
AC_CHECK_PROGS(PATCH, [patch gpatch])
AC_CHECK_PROGS(TAR, [tar gtar star])
# Workaround for the "grep -e" issue on Solaris systems
AC_PROG_EGREP
# Workaround for the wrong path to install-sh on Mac systems
ABI_PROG_MKDIR_P
# Look for a command that provide absolute paths
AC_CHECK_PROGS(REALPATH, [realpath readlink], [/bin/true])
test "${REALPATH}" = "readlink" && REALPATH="${REALPATH} -f"
# We might need a Python interpreter early on
ABI_PROG_PYTHON
# Define command-line arguments
ABI_OPTIONS_DEFINE
# Read config file and ensure that priorities are respected
ABI_ENV_BACKUP
ABI_OPTIONS_BACKUP
ABI_LOAD_OPTIONS
ABI_OPTIONS_CFG_TRANSFER
ABI_OPTIONS_RECALL
ABI_ENV_RECALL
# Set still undefined options
ABI_OPTIONS_SETUP
# Initialize environment, taking options into account
ABI_ENV_INIT
AC_SUBST(CC_LDFLAGS)
AC_SUBST(CC_LIBS)
AC_SUBST(CXX_LDFLAGS)
AC_SUBST(CXX_LIBS)
AC_SUBST(FC_LDFLAGS)
AC_SUBST(FC_LIBS)
# Initialize install dirs (requires version and config options to be set)
ABI_INIT_INSTALL_DIRS
# Disable wrapping of Fortran compiler by default
abi_fc_wrap="no"
# Save user-defined CPP
abi_cpp_user="${CPP}"
# Set-up required information for core libraries
ABI_CORELIBS_INIT
# ---------------------------------------------------------------------------- #
#
# Build-system information
#
ABI_MSG_SECTION([Build-system information])
# Display ABINIT version
AC_MSG_NOTICE([ABINIT version ${ABINIT_VERSION}])
AC_MSG_NOTICE([])
# Display Autotools version information
ABI_INFO_AUTOTOOLS
# Display UI changes
ABI_INFO_OPTIONS_CHANGED
# Display changes in feature triggers
ABI_INFO_TRIGGERS_CHANGED
# ---------------------------------------------------------------------------- #
#
# Check option consistency
#
# NOTE: please hack this section with EXTREME CARE
ABI_MSG_SECTION([Option consistency checking])
# --------- #
# Libraries #
# --------- #
abi_optchk_ok="yes"
AC_MSG_NOTICE([checking consistency of command-line options])
# C-CLOCK requires the building of 02_clib
if test "${abi_cclock_enable}" = "yes"; then
if test "${abi_clib_enable}" = "" -o "${abi_clib_enable}" = "no"; then
AC_MSG_NOTICE([|---> enabling CLib (required by CClock, experimental!)])
abi_clib_enable="yes"
abi_optchk_ok="no"
fi
fi
# Only one of MPI I/O and NetCDF I/O can be the default
if test "${abi_netcdf_default_enable}" = "yes" -a \
"${abi_mpi_io_default_enable}" = "yes"; then
AC_MSG_ERROR([MPI I/O and NetCDF are mutually exclusive default I/O modes
These maintainer options should only be used for testing
purposes. Please do not use them unless you really know
what you are doing.])
fi
# Closing remarks
if test "${abi_optchk_ok}" = "yes"; then
AC_MSG_NOTICE([|---> all OK])
fi
AC_MSG_NOTICE([])
# ------------------- #
# Final step: parsing #
# ------------------- #
ABI_OPTIONS_PARSE
AC_MSG_NOTICE([|---> all OK])
# ---------------------------------------------------------------------------- #
#
# Feature triggers startup
#
ABI_MSG_SECTION([Feature triggers and architecture startup])
# Init Steredeg core features
SD_CORE_INIT
# Do we want to use fallbacks? (must be first)
ABI_FALLBACKS_INIT
# ------------------------------------ #
# Prepare MPI support
ABI_MPI_INIT
# Prepare GPU support
# Note: must be done after MPI
ABI_GPU_INIT
# GPU support requires MPI
if test "${abi_gpu_enable}" = "yes" -a "${abi_mpi_enable}" != "yes"; then
AC_MSG_ERROR([GPU support requires MPI])
fi
# ------------------------------------ #
# Init triggers parameters (must be call after we know about fallbacks)
# Note: MPI and GPU must be initialized after feature triggers
ABI_TRIGGERS_INIT
# ---------------------------------------------------------------------------- #
#
# C support
#
ABI_MSG_SECTION([C support])
# Set basic Abinit C parameters
# Note: advanced fetaures are set later on
ABI_PROG_CC
# ---------------------------------------------------------------------------- #
#
# C++ support
#
ABI_MSG_SECTION([C++ support])
# Set basic Abinit C++ parameters
# Note: advanced fetaures are set later on
ABI_PROG_CXX
# ---------------------------------------------------------------------------- #
#
# Fortran support
#
ABI_MSG_SECTION([Fortran support])
# Set basic Abinit Fortran parameters
# Note: advanced fetaures are set later on
ABI_PROG_FC
# Set default file extensions
ABI_FC_EXTENSIONS
# Get module file case
ABI_FC_MOD_CASE
# The IBM Fortran compiler crashes if the mpi module is included
# more than once
if test "${abi_fc_vendor}" = "ibm" -a "${abi_mpi_enable}" = "yes"; then
AC_MSG_NOTICE([activating MPI workaround for the IBM Fortran compiler])
AC_DEFINE([HAVE_MPI_INCLUDED_ONCE], 1,
[Define to 1 if you are using XLF.])
fi
# Wrap Fortran compiler calls if needed or requested
# Note: must be the last step of basic Fortran configuration
if test "${abi_fc_wrapper_enable}" = "yes"; then
abi_fc_wrap="yes"
fi
# FIXME: obsolete mechanism
AC_SUBST(fc_mod_fcflags)
# ---------------------------------------------------------------------------- #
#
# Hints
#
ABI_MSG_SECTION([Hints for the build flags])
# Look for a true C preprocessor
if test "${TRUE_CPP}" = ""; then
AC_CHECK_PROGS([TRUE_CPP],[cpp])
fi
if test "${TRUE_CPP}" = ""; then
AC_PATH_PROG([TRUE_CPP],[cpp])
fi
if test "${TRUE_CPP}" = ""; then
if test -x "/lib/cpp"; then
TRUE_CPP="/lib/cpp"
fi
fi
AC_MSG_CHECKING([for a true C preprocessor])
if test "${TRUE_CPP}" = ""; then
AC_MSG_RESULT([none])
else
AC_MSG_RESULT([${TRUE_CPP}])
fi
# Set Fortran preprocessor when needed
if test "${abi_fc_wrap}" = "yes"; then
AC_MSG_CHECKING([for a Fortran-compatible C preprocessor])
if test "${FPP}" = ""; then
if test "${abi_cpp_user}" != ""; then
FPP="${abi_cpp_user}"
else
if test "${TRUE_CPP}" != ""; then
FPP="${TRUE_CPP}"
else
FPP="${CPP}"
fi
fi
fi
AC_MSG_RESULT([${FPP}])
fi
# FIXME: set CPP vendor
case "${target_os}" in
aix*)
abi_cpp_vendor="ibm"
abi_xpp_vendor="ibm"
abi_fpp_vendor="ibm"
;;
*)
abi_cpp_vendor="default"
abi_xpp_vendor="default"
abi_fpp_vendor="default"
;;
esac
case "${abi_fc_vendor}" in
ibm)
abi_fpp_vendor="ibm"
;;
esac
AC_MSG_NOTICE([setting C preprocessor vendor to '${abi_cpp_vendor}'])
AC_MSG_NOTICE([setting C++ preprocessor vendor to '${abi_xpp_vendor}'])
AC_MSG_NOTICE([setting Fortran preprocessor vendor to '${abi_fpp_vendor}'])
# Preset flags to have the source building properly
if test "${abi_hints_enable}" = "yes"; then
# C support
ABI_CPP_HINTS
ABI_CC_HINTS
# C++ support
ABI_XPP_HINTS
ABI_CXX_HINTS
# Fortran support
ABI_FPP_HINTS
ABI_FC_HINTS
# Library archiver support
#ABI_AR_HINTS
fi
# Adjust OpenMP flags if not used
if test "${abi_openmp_enable}" != "yes"; then
FCFLAGS_OPENMP=""
fi
# Handling OpenMP offload
if test "${abi_openmp_offload_enable}" = "yes"; then
# Fail if GPU support is not enabled
if test "${abi_gpu_enable}" = "no"; then
AC_MSG_ERROR([OpenMP offload is enabled with no GPU support (ie: CUDA), please check your config.])
fi
# Enable OpenMP if OpenMP offload is requested, to remain consistent
abi_openmp_enable="yes"
if test "${GPU_ARCH}" = ""; then
AC_MSG_WARN([GPU arch wasn't not set (empty GPU_ARCH variable), defaulting to NVIDIA Ampere (=80)])
GPU_ARCH=80
fi
# Perform pattern replacement in OpenMP offload flags with requested GPU arch
FCFLAGS_OPENMP_OFFLOAD=`echo "${FCFLAGS_OPENMP_OFFLOAD}" | sed "s/__GPU_ARCH__/$GPU_ARCH/"`
#FIXME With LLVM 16 embedded with ROCm 5.6.0, issues occurs if OpenMP offload is enabled everywhere
#Therefore, we enable it only if subfolders where it's needed and link time.
if test "${abi_fc_vendor}" == "llvm" -a "${abi_gpu_flavor}" == "hip-double"; then
amd_openmp_flags="${FCFLAGS_OPENMP_OFFLOAD}"
FC_LDFLAGS_EXTRA="${FCFLAGS_OPENMP_OFFLOAD} ${FC_LDFLAGS_EXTRA}"
FCFLAGS_OPENMP_OFFLOAD=""
fi
#FIXME With Cray CPE 23.12, it seems that "-lcraymp" isn't always added to LDFLAGS, so we add it here
if test "${abi_fc_vendor}" == "cray" -a "${abi_gpu_flavor}" == "hip-double"; then
FC_LDFLAGS_EXTRA="-lcraymp ${FC_LDFLAGS_EXTRA}"
fi
else
FCFLAGS_OPENMP_OFFLOAD=""
fi
# Set Fortran preprocessing flags
if test "${abi_fc_wrap}" = "yes"; then
test "${FPPFLAGS}" = "" && FPPFLAGS="${FPPFLAGS_HINTS_EXT}"
fi
# Display Fortran preprocessing parameters
AC_MSG_CHECKING([which Fortran preprocessor to use])
if test "${FPP}" = ""; then
AC_MSG_RESULT([none])
else
AC_MSG_RESULT([${FPP}])
fi
AC_MSG_CHECKING([which Fortran preprocessor flags to apply])
if test "${FPPFLAGS}" = ""; then
AC_MSG_RESULT([none])
else
AC_MSG_RESULT([${FPPFLAGS}])
fi
# Display Fortran compiler wrapper status
AC_MSG_CHECKING([whether to wrap Fortran compiler calls])
AC_MSG_RESULT([${abi_fc_wrap}])
# Export true CPPFLAGS (required by LibXC)
AC_SUBST(CPPFLAGS_HINTS_EXT)
# ---------------------------------------------------------------------------- #
#
# Debugging
#
# NOTE:
#
# * Please do not try to set-up the *FLAGS_DEBUG variables manually,
# as they will systematically be overwritten. These flags should be
# modified by the --with-*-dbgflags options only, and --enable-debug
# set to "yes" in this case.
#
ABI_MSG_SECTION([Debugging])
# Init debug flags
ABI_DEBUG_INIT([${abi_debug_flavor}])
# Activate "design-by-contract" debugging tests when paranoid
AC_MSG_CHECKING([whether to activate design-by-contract debugging])
if test "${abi_debug_flavor}" = "paranoid"; then
AC_DEFINE([DEBUG_CONTRACT], 1,
[Define to 1 if you want to activate design-by-contract debugging tests.])
AC_MSG_RESULT([yes])
else
AC_MSG_RESULT([no])
fi
AM_CONDITIONAL(DO_BUILD_32_CONTRACT,
[test "${abi_debug_flavor}" = "paranoid"])
# ---------------------------------------------------------------------------- #
#
# Optimizations
#
# NOTE: The optimizations will be taken from *FLAGS_OPTIM environment
# variables if with_optim_flavor is set to yes, or set to predefined values
# for other optimization profiles.
#
ABI_MSG_SECTION([Optimizations])
# Disable optimizations if debug mode is activated in source files
if test "${abi_debug_source}" = "yes"; then
if test "${abi_optim_flavor}" != "none"; then
AC_MSG_WARN([disabling optimizations])
fi
abi_optim_flavor="none"
fi
# Init optimization flags
# Note: must be done only once debugging is configured
ABI_OPTIM_INIT([${abi_optim_flavor}])
# FIXME: 20_datashare does not support optimizations
AC_MSG_NOTICE([disabling optimizations for src/20_datashare/])
fcflags_opt_20_datashare="-O0"
AC_MSG_NOTICE([disabling optimizations for src/43_ptgroups/])
fcflags_opt_43_ptgroups="-O0"
# FIXME: AMD LLVM fork for OpenMP GPU (aka AOMP) has a sensitive OpenMP GPU implementation, so we enable it where needed.
# Checked with version 16.0.0 shipped with ROCm 5.6.0 (July 2023).
if test "${abi_fc_vendor}" == "llvm" -a "${abi_gpu_flavor}" == "hip-double"; then
if test "${abi_openmp_offload_enable}" = "yes"; then
fcflags_opt_28_numeric_noabirule="${amd_openmp_flags}"
fcflags_opt_45_xgTools="${amd_openmp_flags}"
fcflags_opt_46_ghc_omp="${amd_openmp_flags}"
fcflags_opt_66_nonlocal="${amd_openmp_flags}"
fcflags_opt_66_wfs="${amd_openmp_flags}"
fcflags_opt_67_common="${amd_openmp_flags}"
fcflags_opt_79_seqpar_mpi="${amd_openmp_flags}"
fcflags_opt_98_main="${amd_openmp_flags}"
fi
fi
# Set per-directory Fortran optimizations
# Note: must be done only once FCFLAGS_OPTIM is set
ABI_OPTFLAGS_DIRS([${FCFLAGS_OPTIM}])
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Save configuration
#
ABI_MSG_SECTION([Build flags])
# Set-up target and binary package names
# Note: requires knowledge of Fortran compiler
ABI_INIT_TARGET
ABINIT_BINARY_PACKAGE="${PACKAGE}-${VERSION}_${ABINIT_TARGET}"
AC_SUBST(ABINIT_BINARY_PACKAGE)
# Preserve environment
ABI_ENV_BACKUP
# Look for archiver
if test "${AR}" = ""; then
AC_CHECK_PROGS(AR,[ar xiar])
fi
# Set archiver command flag
test "${ARFLAGS_CMD}" = "" && ARFLAGS_CMD="rc"
AC_SUBST(ARFLAGS_CMD)
# Look for ranlib
AC_PROG_RANLIB
# Restore back compile flags
CFLAGS="${abi_env_CFLAGS}"
CXXFLAGS="${abi_env_CXXFLAGS}"
FCFLAGS="${abi_env_FCFLAGS}"
# We want to be able access the archiver from anywhere
AC_SUBST(AR)
AC_SUBST(ARFLAGS)
# Report the use of libtool-related options
AC_SUBST(enable_shared)
AC_SUBST(enable_static)
AC_SUBST(with_gnu_ld)
# Final adjustments for library archiver
test "${ARFLAGS}" = "" && \
ARFLAGS="${ARFLAGS_DEBUG} ${ARFLAGS_OPTIM} ${ARFLAGS_HINTS} ${ARFLAGS_EXTRA} ${ARFLAGS_CMD}"
# Final adjustments for C
test "${CFLAGS}" = "" && \
CFLAGS="${CFLAGS_DEBUG} ${CFLAGS_OPTIM} ${CFLAGS_HINTS} ${CFLAGS_EXTRA}"
test "${CC_LDFLAGS}" = "" && \
CC_LDFLAGS="${CC_LDFLAGS_DEBUG} ${CC_LDFLAGS_OPTIM} ${CC_LDFLAGS_HINTS} ${CC_LDFLAGS_EXTRA}"
test "${CC_LIBS}" = "" && \
CC_LIBS="${CC_LIBS_DEBUG} ${CC_LIBS_OPTIM} ${CC_LIBS_HINTS} ${CC_LIBS_EXTRA}"
# Final adjustments for C++
test "${CXXFLAGS}" = "" && \
CXXFLAGS="${CXXFLAGS_DEBUG} ${CXXFLAGS_OPTIM} ${CXXFLAGS_HINTS} ${CXXFLAGS_EXTRA}"
test "${CXX_LDFLAGS}" = "" && \
CXX_LDFLAGS="${CXX_LDFLAGS_DEBUG} ${CXX_LDFLAGS_OPTIM} ${CXX_LDFLAGS_HINTS} ${CXX_LDFLAGS_EXTRA}"
test "${CXX_LIBS}" = "" && \
CXX_LIBS="${CXX_LIBS_DEBUG} ${CXX_LIBS_OPTIM} ${CXX_LIBS_HINTS} ${CXX_LIBS_EXTRA}"
# Final adjustments for Fortran
# Note: FCFLAGS_OPTIM must not be included (per-directory optimizations)
test "${FCFLAGS}" = "" && \
FCFLAGS="${FCFLAGS_DEBUG} ${FCFLAGS_HINTS} ${FCFLAGS_OPENMP} ${FCFLAGS_OPENMP_OFFLOAD} ${FCFLAGS_EXTRA}"
test "${FC_LDFLAGS}" = "" && \
FC_LDFLAGS="${FC_LDFLAGS_DEBUG} ${FC_LDFLAGS_OPTIM} ${FC_LDFLAGS_HINTS} ${FC_LDFLAGS_EXTRA}"
test "${FC_LIBS}" = "" && \
FC_LIBS="${FC_LIBS_DEBUG} ${FC_LIBS_OPTIM} ${FC_LIBS_HINTS} ${FC_LIBS_EXTRA}"
# Final adjustments for preprocessors
test "${CPPFLAGS}" = "" && \
CPPFLAGS="${CPPFLAGS_DEBUG} ${CPPFLAGS_OPTIM} ${CPPFLAGS_HINTS} ${CPPFLAGS_EXTRA}"
test "${XPPFLAGS}" = "" && \
XPPFLAGS="${XPPFLAGS_DEBUG} ${XPPFLAGS_OPTIM} ${XPPFLAGS_HINTS} ${XPPFLAGS_EXTRA}"
test "${FPPFLAGS}" = "" -a "${abi_fc_wrap}" = "no" && \
FPPFLAGS="${FPPFLAGS_DEBUG} ${FPPFLAGS_OPTIM} ${FPPFLAGS_HINTS} ${FPPFLAGS_EXTRA}"
# Determine Fortran link flags (FCLIBS)
# This is needed after FCFLAGS has been set as some compilers have extra
# libraries linked due to optimizations levels or OpenMP
# This step would be performed inside AC_FC_WRAPPERS but it fails due to a mischievous
# double-quote in FCLIBS when using Cray compiler, so we trim it out in that specific case.
AC_FC_LIBRARY_LDFLAGS
if test "${abi_fc_vendor}" = "cray"; then
FCLIBS=`echo ${FCLIBS} | tr '"' ' '`
fi
# Determine Fortran-C name mangling scheme
AC_FC_WRAPPERS
# FIXME: temporary workaround for Macs
if test "${abi_cpu_platform}" = "apple"; then
AC_MSG_WARN([${abi_cpu_platform} is not able to handle full link information])
AC_MSG_WARN([static builds will fail])
else
AC_MSG_NOTICE([static builds may be performed])
FC_LIBS="${FC_LIBS} ${FCLIBS}"
fi
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Advanced language features
#
# Note: these tests have to be performed after the flags have been
# saved.
ABI_MSG_SECTION([Advanced language features])
# Look for desired C features
ABI_CC_FEATURES
# Look for desired Fortran features
ABI_FC_FEATURES
# Look for desired Python features
ABI_PY_FEATURES
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Platform-specific libraries
#
# Note: these tests have to be performed after the flags have been
# saved.
ABI_MSG_SECTION([Platform-specific libraries])
AC_MSG_CHECKING([which operating system we have])
AC_MSG_RESULT([${target_os}])
# Basic mathematical functions
AC_LANG_PUSH([C])
AC_SEARCH_LIBS([expl], [m ml],
[abi_math_expl_ok="yes"], [abi_math_expl_ok="no"])
AC_SEARCH_LIBS([logl], [m ml],
[abi_math_logl_ok="yes"], [abi_math_logl_ok="no"])
AC_LANG_POP([C])
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Multicore architecture support
# Note: the following settings will be used by the connectors.
ABI_MSG_SECTION([Multicore architecture support])
# OpenMP support
AC_MSG_CHECKING([whether to enable OpenMP support])
AC_MSG_RESULT([${abi_openmp_enable}])
if test "${abi_openmp_enable}" = "yes"; then
AC_MSG_CHECKING([Fortran flags for OpenMP])
AC_MSG_RESULT([${FCFLAGS_OPENMP}])
ABI_OMP_CHECK_COLLAPSE
if test "${abi_openmp_offload_enable}" = "yes"; then
ABI_OMP_CHECK_GPU_OFFLOAD
fi
AC_MSG_NOTICE([OpenMP support is enabled in Fortran source code only])
fi
# MPI support
ABI_MPI_DETECT
if test "${abi_mpi_enable}" = "yes"; then
ABI_MPI_DUMP
fi
# GPU support
ABI_GPU_DETECT
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Optional features - Initialization
#
ABI_MSG_SECTION([Initialization of optional features])
# Init HDF5
#SD_HDF5_INIT([optional fail no-fortran])
#SD_HDF5_INIT([optional warn no-fortran])
SD_HDF5_INIT([required no-fortran warn])
# Init FFTW3
SD_FFTW3_INIT([optional skip])
# Init Levmar
SD_LEVMAR_INIT([optional fail])
# Init LibPSML
#SD_LIBPSML_INIT([optional fail])
SD_LIBPSML_INIT([optional warn])
# Init LibXC
#SD_LIBXC_INIT([no-fortran optional fail])
SD_LIBXC_INIT([required no-fortran warn])
# Init NetCDF
#SD_NETCDF_INIT([optional fail])
SD_NETCDF_INIT([required warn])
# Init NetCDF-Fortran
#SD_NETCDF_FORTRAN_INIT([optional fail])
SD_NETCDF_FORTRAN_INIT([required warn])
# Init PAPI
SD_PAPI_INIT([optional fail])
# Init PFFT
SD_PFFT_INIT([optional skip])
# Init TRIQS
SD_TRIQS_INIT([optional fail])
# Init Wannier90
#SD_WANNIER90_INIT([optional fail], [-lwannier90])
SD_WANNIER90_INIT([optional warn], [-lwannier90])
# Init XMLF90
#SD_XMLF90_INIT([optional fail])
SD_XMLF90_INIT([optional warn])
# Init KOKKOS
SD_KOKKOS_INIT([optional fail])
#SD_KOKKOS_INIT([optional warn])
# Init YAKL
SD_YAKL_INIT([optional fail])
#SD_YAKL_INIT([optional warn])
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Linear algebra support
#
ABI_MSG_SECTION([Linear algebra support])
#SD_LINALG_INIT([required fail])
SD_LINALG_INIT([required warn])
SD_LINALG_INIT_FLAVOR
SD_LINALG_DETECT
# the minimum needed to declare linalg working...
sd_linalg_ok="no"
test "${sd_linalg_has_blas}" = "yes" -a "${sd_linalg_has_lapack}" = "yes" && sd_linalg_ok="yes"
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Optimized FFT support (must be done after linear algebra is fully configured)
#
ABI_MSG_SECTION([Optimized FFT support])
if test "${sd_linalg_enable}" = "yes"; then
SD_FFT_INIT
SD_FFT_DETECT
else
echo "Skip FFT setting : linalg not enabled..."
fi
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Profiling and performance analysis
#
#ABI_MSG_SECTION([Profiling and performance analysis])
# ---------------------------------------------------------------------------- #
#
# Feature triggers (optional features)
#
ABI_MSG_SECTION([Feature triggers])
# VERY IMPORTANT: THE ORDER IS CRITICAL - DO NOT CHANGE IT!
# Note: some of the following packages are mandatory to run Abinit with
# full capabilities, although internal implementations may provide
# limited functionality in some cases
# ------------------------------ #
# PAPI library support
SD_PAPI_DETECT
AC_MSG_CHECKING([whether to enable the internal Abinit timer])
AC_MSG_RESULT([${abi_timer_enable}])
if test "${sd_papi_ok}" != "yes"; then
if test "${abi_timer_enable}" = "yes"; then
AC_DEFINE([HAVE_TIMER_ABINIT], 1,
[Define to 1 if you want to use the Abinit timer.])
fi
fi
# ------------------------------ #
# HDF5 library support
SD_HDF5_DETECT
AC_MSG_NOTICE([])
AC_MSG_NOTICE([dumping HDF5 parameters for diagnostics])
AC_MSG_NOTICE([---------------------------------------])
AC_MSG_NOTICE([])
AC_MSG_NOTICE([ * sd_hdf5_enable = ${sd_hdf5_enable}])
AC_MSG_NOTICE([ * sd_hdf5_status = ${sd_hdf5_status}])
AC_MSG_NOTICE([ * sd_hdf5_h5cc = ${sd_hdf5_h5cc}])
AC_MSG_NOTICE([ * sd_hdf5_has_mpi = ${sd_hdf5_has_mpi}])
AC_MSG_NOTICE([])
## Parallel NetCDF requires a few conditions to work
# TODO abi_netcdf_mpi_enable not defined
#if test "${abi_netcdf_mpi_enable}" = "yes"; then
# if test "${sd_mpi_ok}" != "yes"; then
# AC_MSG_ERROR([parallel NetCDF requested but MPI is not available])
# fi
# if test "${abi_mpi_io_enable}" != "yes"; then
# AC_MSG_ERROR([parallel NetCDF requested but MPI I/O is disabled])
# fi
# if test "${sd_hdf5_mpi_ok}" != "yes"; then
# AC_MSG_ERROR([parallel NetCDF requested but parallel HDF5 is not available])
# fi
#fi
# NetCDF library support (must be done after HDF5)
SD_NETCDF_DETECT
AC_MSG_NOTICE([])
AC_MSG_NOTICE([dumping NetCDF parameters for diagnostics])
AC_MSG_NOTICE([-----------------------------------------])
AC_MSG_NOTICE([])
AC_MSG_NOTICE([ * sd_netcdf_ok = ${sd_netcdf_ok}])
AC_MSG_NOTICE([ * sd_netcdf_mpi_ok = ${sd_netcdf_mpi_ok}])
AC_MSG_NOTICE([ * sd_netcdf_enable = ${sd_netcdf_enable}])
AC_MSG_NOTICE([ * sd_netcdf_prefix = ${sd_netcdf_prefix}])
AC_MSG_NOTICE([])
# NetCDF library support (must be done after HDF5)
SD_NETCDF_FORTRAN_DETECT
AC_MSG_NOTICE([])
AC_MSG_NOTICE([dumping NetCDFF parameters for diagnostics])
AC_MSG_NOTICE([------------------------------------------])
AC_MSG_NOTICE([])
AC_MSG_NOTICE([ * sd_netcdf_fortran_ok = ${sd_netcdf_fortran_ok}])
AC_MSG_NOTICE([ * sd_netcdf_fortran_mpi_ok = ${sd_netcdf_fortran_mpi_ok}])
AC_MSG_NOTICE([ * sd_netcdf_fortran_enable = ${sd_netcdf_fortran_enable}])
AC_MSG_NOTICE([ * sd_netcdf_fortran_prefix = ${sd_netcdf_fortran_prefix}])
AC_MSG_NOTICE([])
# XMLF90 library support
SD_XMLF90_DETECT
# LibPSML library support
if test "${sd_xmlf90_ok}" = "yes"; then
SD_LIBPSML_DETECT
else
if test "${sd_libpsml_enable}" = "auto"; then
sd_libpsml_enable="no"
else
if test "${sd_libpsml_enable}" != "no"; then
#AC_MSG_ERROR([LibPSML support has been requested but XMLF90 does not work
AC_MSG_WARN([LibPSML support has been requested but XMLF90 does not work
Please point the configuration to a working XMLF90
installation or disable LibPSML support])
fi
fi
fi
AM_CONDITIONAL([DO_BUILD_PSML],
[test "${sd_libpsml_enable}" = "yes " -a "${sd_libpsml_ok}" = "yes"])
# ------------------------------ #
# Levmar library support
SD_LEVMAR_DETECT
# ------------------------------ #
# LibXC library support
#ABI_LIBXC_DETECT(2, 2)
SD_LIBXC_DETECT
AM_CONDITIONAL([DO_BUILD_01_LIBXC_EXT],
[test "${sd_libxc_ok}" = "yes"])
# TRIQS support
SD_TRIQS_DETECT
AM_CONDITIONAL([DO_BUILD_67_TRIQS_EXT],
[test "${sd_triqs_enable}" = "yes" -a "${sd_triqs_ok}" = "yes"])
# Wannier90 library support
SD_WANNIER90_DETECT
# AtomPAW integration support
ABI_CHECK_ATOMPAW_BINS
# KOKKOS library support
SD_KOKKOS_DETECT
# YAKL library support
SD_YAKL_DETECT
# ---------------------------------------------------------------------------- #
# ---------------------------------------------------------------------------- #
#
# Build workflow
#
ABI_MSG_SECTION([Build workflow])
# Initialize the low-level routines of ABINIT as an external component
SD_ABINIT_COMMON_INIT([optional skip])
SD_ABINIT_COMMON_DETECT
# Initialize the LibPAW routines as an external component
SD_LIBPAW_INIT([optional skip])
SD_LIBPAW_DETECT
# ------------------------------ #
# Init BigDFT (requires knowledge about ABINIT Common and LibPAW)
if test "${sd_libxc_enable}" = "yes" -a "${sd_linalg_enable}" = "yes"; then
#SD_BIGDFT_INIT([optional fail])
SD_BIGDFT_INIT([optional warn])
# BigDFT library support (requires linear algebra and LibXC)
SD_BIGDFT_DETECT
else
echo "Skip BIGDFT setting : libxc not enabled..."
fi
# ------------------------------ #
AC_MSG_CHECKING([how to build the components of ABINIT])
abi_build_steps=""
if test "${sd_abinit_common_ok}" = "yes"; then
test "${abi_build_steps}" = "" || abi_build_steps="${abi_build_steps}+"
abi_build_steps="${abi_build_steps}common"
fi
if test "${sd_libpaw_ok}" = "yes"; then
test "${abi_build_steps}" = "" || abi_build_steps="${abi_build_steps}+"
abi_build_steps="${abi_build_steps}libpaw"
fi
if test "${sd_bigdft_ok}" = "yes"; then
test "${abi_build_steps}" = "" || abi_build_steps="${abi_build_steps}+"
abi_build_steps="${abi_build_steps}bigdft"
fi
if test "${abi_build_steps}" = ""; then
abi_build_steps="monolith"
else
abi_build_steps="${abi_build_steps}+core"