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Docker: Remove Spack profile from cmake_cp2k.sh (#5436)
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1 changed files with 2 additions and 30 deletions
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@ -22,12 +22,7 @@ VERSION=$2
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# Using Ninja because of https://gitlab.kitware.com/cmake/cmake/issues/18188
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if [[ "${PROFILE}" =~ ^spack ]]; then
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eval "$(spack env activate myenv --sh)"
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# PyTorch's TorchConfig.cmake is buried in the Python site-packages directory
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Torch_DIR="$(dirname "$(find /opt/spack ! -type l -name TorchConfig.cmake | tail -n 1)")"
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export Torch_DIR
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elif [[ "${PROFILE}" =~ ^toolchain ]]; then
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if [[ "${PROFILE}" =~ ^toolchain ]]; then
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# shellcheck disable=SC1091
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source "${TOOLCHAIN_DIR}/install/setup"
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elif [[ "${PROFILE}" =~ ^ubuntu ]] || [[ "${PROFILE}" =~ ^minimal ]]; then
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@ -43,30 +38,7 @@ cd build || return 1
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# TODO: Reconcile PROFILE/VERSION with CP2K_BUILD_OPTIONS in CMakeLists.txt
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#
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if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then
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cmake \
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-GNinja \
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-DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
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-DCP2K_USE_EVERYTHING=ON \
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-DCP2K_USE_DLAF=OFF \
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-DCP2K_USE_OPENPMD=ON \
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-DCP2K_USE_TBLITE=OFF \
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-Werror=dev \
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.. |& tee ./cmake.log
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CMAKE_EXIT_CODE=$?
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elif [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "ssmp" ]]; then
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cmake \
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-GNinja \
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-DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
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-DCP2K_USE_EVERYTHING=ON \
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-DCP2K_USE_MPI=OFF \
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-DCP2K_USE_TBLITE=OFF \
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-Werror=dev \
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.. |& tee ./cmake.log
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CMAKE_EXIT_CODE=$?
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elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "pdbg" ]]; then
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if [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "pdbg" ]]; then
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cmake \
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-GNinja \
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-DCMAKE_BUILD_TYPE="Debug" \
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