diff --git a/tools/libint/README.md b/tools/libint/README.md index 9dc897b256..ce448ddf18 100644 --- a/tools/libint/README.md +++ b/tools/libint/README.md @@ -13,26 +13,20 @@ docker run -v "$(pwd)":/mnt bundles_img cp -rv /opt/libint-bundles /mnt/ ## Use pre-built libint-cp2k source to build and install libint -1. First, ensure `boost` and `eigen3` are installed on your system. For Ubuntu/Debian users, run: - -``` -sudo apt install libboost-dev libeigen3-dev -``` - -For Fedora or RHEL (CRB repo required) users: - -``` -sudo dnf install boost-devel eigen3-devel -``` - -2. Build libint-cp2k with below cmake commands: +Build libint-cp2k with below cmake commands: ``` cd /path/to/libint-cp2k mkdir build && cd build -CXXFLAGS="-g1" cmake .. \ +CXXFLAGS="-g1" FCFLAGS="-g1" cmake .. \ -DCMAKE_INSTALL_PREFIX=/path/to/your/installation \ -DLIBINT2_INSTALL_LIBDIR=/path/to/your/installation/lib \ - -DLIBINT2_ENABLE_FORTRAN=ON + -DLIBINT2_ENABLE_FORTRAN=ON \ + -DCMAKE_DISABLE_FIND_PACKAGE_Boost=ON \ + -DLIBINT2_REQUIRE_CXX_API=OFF +tar -xzf ../external/boost.tar.gz -C ./include/libint2 make install -j N ``` + +If you have boost and eigen3 installed on your host system, you may not need +`-DCMAKE_DISABLE_FIND_PACKAGE_Boost=ON` and `-DLIBINT2_REQUIRE_CXX_API=OFF`. diff --git a/tools/toolchain/install_requirements_fedora.sh b/tools/toolchain/install_requirements_fedora.sh index d3e9daf4c1..08e4210c89 100755 --- a/tools/toolchain/install_requirements_fedora.sh +++ b/tools/toolchain/install_requirements_fedora.sh @@ -10,11 +10,9 @@ dnf -qy install \ autoconf \ autogen \ automake \ - boost-devel \ bzip2 \ ca-certificates \ diffutils \ - eigen3-devel \ g++ \ gcc \ gfortran \ diff --git a/tools/toolchain/install_requirements_ubuntu.sh b/tools/toolchain/install_requirements_ubuntu.sh index 6525a60c27..c7b79ec9d8 100755 --- a/tools/toolchain/install_requirements_ubuntu.sh +++ b/tools/toolchain/install_requirements_ubuntu.sh @@ -23,8 +23,6 @@ apt-get install -qq --no-install-recommends \ gfortran \ git \ less \ - libboost-dev \ - libeigen3-dev \ libtool \ libtool-bin \ make \ diff --git a/tools/toolchain/scripts/stage3/install_libint.sh b/tools/toolchain/scripts/stage3/install_libint.sh index 9f389add32..e602915fd6 100755 --- a/tools/toolchain/scripts/stage3/install_libint.sh +++ b/tools/toolchain/scripts/stage3/install_libint.sh @@ -66,7 +66,10 @@ case "$with_libint" in -DCMAKE_CXX_COMPILER="$CXX" \ -DLIBINT2_INSTALL_LIBDIR="${pkg_install_dir}/lib" \ -DLIBINT2_ENABLE_FORTRAN=ON \ + -DCMAKE_DISABLE_FIND_PACKAGE_Boost=ON \ + -DLIBINT2_REQUIRE_CXX_API=OFF \ > configure.log 2>&1 || tail_excerpt configure.log + tar -xzf ../external/boost.tar.gz -C ./include/libint2 make install -j $(get_nprocs) > make.log 2>&1 || tail_excerpt make.log cd .. diff --git a/tools/toolchain/scripts/stage4/install_cosma.sh b/tools/toolchain/scripts/stage4/install_cosma.sh index 7757afdcc8..1a7417abea 100755 --- a/tools/toolchain/scripts/stage4/install_cosma.sh +++ b/tools/toolchain/scripts/stage4/install_cosma.sh @@ -6,10 +6,10 @@ [ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0 SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)" -cosma_ver="2.8.3" -cosma_sha256="fbd53b3b399ae521b1c632c02970560c78e0ae7733aa4a52d1426183336a1f75" -costa_ver="2.3.1" -costa_sha256="ab3a30165a821c77d34013ef8d01a9be5fefcc804e85c1e338ac970122ae938b" +cosma_ver="2.8.2" +cosma_sha256="bcf42558c1cdc35e91f662a9e87ae606f22d0c1aaf0cb763a6e4385c412c8f6b" +costa_ver="2.3.0" +costa_sha256="0413311a2821d4cd1f3f026672a75a5b5a2956f61305c07d7fc14565a126b517" tiled_mm_ver="2.3.2" tiled_mm_sha256="1f91ca02f6ee8e400835fa90630618baf86a7b425b4bbbb4151068f72658b858" @@ -36,12 +36,9 @@ case "$with_cosma" in if verify_checksums "${install_lock_file}"; then echo "COSMA-${cosma_ver} is already installed, skipping it." else - #retrieve_package "${cosma_sha256}" "COSMA-v${cosma_ver}.tar.gz" - #retrieve_package "${costa_sha256}" "COSTA-v${costa_ver}.tar.gz" - #retrieve_package "${tiled_mm_sha256}" "Tiled-MM-v${tiled_mm_ver}.tar.gz" - download_pkg_from_urlpath "${cosma_sha256}" "v${cosma_ver}.tar.gz" https://github.com/eth-cscs/COSMA/archive/refs/tags "COSMA-v${cosma_ver}.tar.gz" - download_pkg_from_urlpath "${costa_sha256}" "v${costa_ver}.tar.gz" https://github.com/eth-cscs/COSTA/archive/refs/tags "COSTA-v${costa_ver}.tar.gz" - download_pkg_from_urlpath "${tiled_mm_sha256}" "v${tiled_mm_ver}.tar.gz" https://github.com/eth-cscs/Tiled-MM/archive/refs/tags "Tiled-MM-v${tiled_mm_ver}.tar.gz" + retrieve_package "${cosma_sha256}" "COSMA-v${cosma_ver}.tar.gz" + retrieve_package "${costa_sha256}" "COSTA-v${costa_ver}.tar.gz" + retrieve_package "${tiled_mm_sha256}" "Tiled-MM-v${tiled_mm_ver}.tar.gz" echo "Installing from scratch into ${pkg_install_dir}" [ -d COSMA-${cosma_ver} ] && rm -rf COSMA-${cosma_ver} tar -xzf COSMA-v${cosma_ver}.tar.gz