diff --git a/CMakeLists.txt b/CMakeLists.txt index 31afa2f691..3ea32922cd 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -846,7 +846,7 @@ if(CP2K_USE_LIBINT2) endif() if(CP2K_USE_LIBFCI) - find_package(LibFCI REQUIRED) + find_package(libfci REQUIRED) endif() # Spglib diff --git a/cmake/modules/FindLibFCI.cmake b/cmake/modules/FindLibFCI.cmake deleted file mode 100644 index e420da3111..0000000000 --- a/cmake/modules/FindLibFCI.cmake +++ /dev/null @@ -1,55 +0,0 @@ -#!-------------------------------------------------------------------------------------------------! -#! CP2K: A general program to perform molecular dynamics simulations ! -#! Copyright 2000-2026 CP2K developers group ! -#! ! -#! SPDX-License-Identifier: GPL-2.0-or-later ! -#!-------------------------------------------------------------------------------------------------! - -include(FindPackageHandleStandardArgs) -include(cp2k_utils) - -find_package(libfci CONFIG QUIET) - -if(libfci_FOUND AND TARGET libfci::fci) - set(LibFCI_FOUND TRUE) - set(CP2K_LIBFCI_FOUND TRUE) - set(CP2K_LIBFCI_LINK_LIBRARIES libfci::fci) - get_target_property(CP2K_LIBFCI_INCLUDE_DIRS libfci::fci - INTERFACE_INCLUDE_DIRECTORIES) -else() - find_package(PkgConfig QUIET) - cp2k_set_default_paths(LIBFCI "libfci") - - if(PKG_CONFIG_FOUND) - pkg_check_modules(CP2K_LIBFCI IMPORTED_TARGET GLOBAL libfci) - endif() - - if(NOT CP2K_LIBFCI_FOUND) - cp2k_find_libraries(LIBFCI "fci") - cp2k_include_dirs(LIBFCI "libfci.h") - endif() - - find_package_handle_standard_args(LibFCI DEFAULT_MSG CP2K_LIBFCI_INCLUDE_DIRS - CP2K_LIBFCI_LINK_LIBRARIES) -endif() - -if(CP2K_LIBFCI_FOUND) - if(NOT TARGET cp2k::libfci::fci) - add_library(cp2k::libfci::fci INTERFACE IMPORTED) - endif() - - if(TARGET libfci::fci) - target_link_libraries(cp2k::libfci::fci INTERFACE libfci::fci) - elseif(TARGET PkgConfig::CP2K_LIBFCI) - target_link_libraries(cp2k::libfci::fci INTERFACE PkgConfig::CP2K_LIBFCI) - else() - set_target_properties( - cp2k::libfci::fci PROPERTIES INTERFACE_INCLUDE_DIRECTORIES - "${CP2K_LIBFCI_INCLUDE_DIRS}") - target_link_libraries(cp2k::libfci::fci - INTERFACE ${CP2K_LIBFCI_LINK_LIBRARIES}) - endif() -endif() - -mark_as_advanced(CP2K_LIBFCI_FOUND CP2K_LIBFCI_INCLUDE_DIRS - CP2K_LIBFCI_LINK_LIBRARIES) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 75ef843923..ec07797388 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -1787,7 +1787,7 @@ target_link_libraries( $<$:CP2K::MIMIC::mclf> $<$:CP2K::MIMIC::mcl> $<$:Libint2::int2> - $<$:cp2k::libfci::fci> + $<$:libfci::fci> $<$:cp2k::cosma> $<$:${CP2K_DLAF_FORTRAN_TARGET}> $<$:cp2k::greenx> diff --git a/tools/toolchain/scripts/stage8/install_libfci.sh b/tools/toolchain/scripts/stage7/install_libfci.sh similarity index 72% rename from tools/toolchain/scripts/stage8/install_libfci.sh rename to tools/toolchain/scripts/stage7/install_libfci.sh index 5f1a608b5a..363b051669 100755 --- a/tools/toolchain/scripts/stage8/install_libfci.sh +++ b/tools/toolchain/scripts/stage7/install_libfci.sh @@ -47,56 +47,39 @@ case "$with_libfci" in -DCMAKE_INSTALL_LIBDIR=lib \ -DCMAKE_VERBOSE_MAKEFILE=ON \ .. > cmake.log 2>&1 || tail_excerpt cmake.log - CMAKE_BUILD_PARALLEL_LEVEL="$(get_nprocs)" cmake --build . > build.log 2>&1 || tail_excerpt build.log - CMAKE_BUILD_PARALLEL_LEVEL="$(get_nprocs)" cmake --build . --target install > install.log 2>&1 || tail_excerpt install.log - write_checksums "${install_lock_file}" "${SCRIPT_DIR}/stage8/$(basename "${SCRIPT_NAME}")" + make install -j $(get_nprocs) > build.log 2>&1 || tail_excerpt build.log + write_checksums "${install_lock_file}" "${SCRIPT_DIR}/stage7/$(basename "${SCRIPT_NAME}")" cd ../.. fi - LIBFCI_CFLAGS="-I'${pkg_install_dir}/include'" - LIBFCI_LDFLAGS="-L'${pkg_install_dir}/lib' -Wl,-rpath,'${pkg_install_dir}/lib'" ;; __SYSTEM__) echo "==================== Finding libfci from system paths ====================" check_lib -lfci "libfci" - add_include_from_paths LIBFCI_CFLAGS "libfci.h" $INCLUDE_PATHS - add_lib_from_paths LIBFCI_LDFLAGS "libfci.*" $LIB_PATHS + pkg_install_dir="$(dirname $(dirname $(find_in_paths "libfci.*" $LIB_PATHS)))" ;; *) echo "==================== Linking libfci to user paths ====================" - pkg_install_dir="$with_libfci" + pkg_install_dir="${with_libfci}" LIBFCI_LIBDIR="${pkg_install_dir}/lib" [ -d "${pkg_install_dir}/lib64" ] && LIBFCI_LIBDIR="${pkg_install_dir}/lib64" check_dir "${LIBFCI_LIBDIR}" check_dir "${pkg_install_dir}/include" - LIBFCI_CFLAGS="-I'${pkg_install_dir}/include'" - LIBFCI_LDFLAGS="-L'${LIBFCI_LIBDIR}' -Wl,-rpath,'${LIBFCI_LIBDIR}'" ;; esac if [ "$with_libfci" != "__DONTUSE__" ]; then - LIBFCI_LIBS="-lfci -lstdc++" cat << EOF > "${BUILDDIR}/setup_libfci" export LIBFCI_VER="${libfci_ver}" +export LIBFCI_ROOT="${pkg_install_dir}" EOF if [ "$with_libfci" != "__SYSTEM__" ]; then cat << EOF >> "${BUILDDIR}/setup_libfci" prepend_path LD_LIBRARY_PATH "${pkg_install_dir}/lib" prepend_path LD_RUN_PATH "${pkg_install_dir}/lib" prepend_path LIBRARY_PATH "${pkg_install_dir}/lib" -prepend_path CPATH "${pkg_install_dir}/include" prepend_path PKG_CONFIG_PATH "${pkg_install_dir}/lib/pkgconfig" prepend_path CMAKE_PREFIX_PATH "${pkg_install_dir}" EOF fi - cat << EOF >> "${BUILDDIR}/setup_libfci" -export LIBFCI_CFLAGS="${LIBFCI_CFLAGS}" -export LIBFCI_LDFLAGS="${LIBFCI_LDFLAGS}" -export LIBFCI_LIBS="${LIBFCI_LIBS}" -export CP_DFLAGS="\${CP_DFLAGS} -D__LIBFCI" -export CP_CFLAGS="\${CP_CFLAGS} ${LIBFCI_CFLAGS}" -export CP_LDFLAGS="\${CP_LDFLAGS} ${LIBFCI_LDFLAGS}" -export CP_LIBS="${LIBFCI_LIBS} \${CP_LIBS}" -export LIBFCI_ROOT="${pkg_install_dir}" -EOF filter_setup "${BUILDDIR}/setup_libfci" "${SETUPFILE}" fi diff --git a/tools/toolchain/scripts/stage7/install_stage7.sh b/tools/toolchain/scripts/stage7/install_stage7.sh index 7f99280adf..6d208b8881 100755 --- a/tools/toolchain/scripts/stage7/install_stage7.sh +++ b/tools/toolchain/scripts/stage7/install_stage7.sh @@ -8,6 +8,7 @@ ./scripts/stage7/install_spglib.sh ./scripts/stage7/install_libvori.sh ./scripts/stage7/install_libsmeagol.sh +./scripts/stage7/install_libfci.sh ./scripts/stage7/install_fmt.sh #EOF diff --git a/tools/toolchain/scripts/stage8/install_stage8.sh b/tools/toolchain/scripts/stage8/install_stage8.sh index 2b256c8eb1..8ac738f4ed 100755 --- a/tools/toolchain/scripts/stage8/install_stage8.sh +++ b/tools/toolchain/scripts/stage8/install_stage8.sh @@ -9,7 +9,6 @@ ./scripts/stage8/install_spfft.sh ./scripts/stage8/install_spla.sh ./scripts/stage8/install_sirius.sh -./scripts/stage8/install_libfci.sh ./scripts/stage8/install_trexio.sh ./scripts/stage8/install_mcl.sh #EOF