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Enable COSMA, ELPA, libVORI, PLUMED, SIRIUS, SPLA in CMake + Spack CI build
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parent
3cfc7bce31
commit
343e2d28e9
6 changed files with 60 additions and 50 deletions
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@ -27,23 +27,32 @@ fi
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# TODO: Reconcile PROFILE/VERSION with CP2K_BUILD_OPTIONS in CMakeLists.txt.
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if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then
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# NOTE: pexsi and quip are deprecated in #3600
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cmake \
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-GNinja \
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-DCMAKE_C_FLAGS="-fno-lto" \
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-DCMAKE_Fortran_FLAGS="-fno-lto" \
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-DCMAKE_INSTALL_PREFIX=/opt/cp2k \
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-Werror=dev \
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-DCP2K_USE_VORI=OFF \
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-DCP2K_USE_COSMA=OFF \
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-DCP2K_USE_DLAF=ON \
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-DCP2K_BLAS_VENDOR=OpenBLAS \
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-DCP2K_USE_SPGLIB=ON \
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-DCP2K_USE_LIBINT2=ON \
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-DCP2K_USE_LIBXC=ON \
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-DCP2K_USE_LIBXSMM=ON \
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-DCP2K_USE_LIBTORCH=OFF \
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-DCP2K_USE_FFTW3=ON \
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-DCP2K_USE_SPGLIB=ON \
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-DCP2K_USE_VORI=ON \
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-DCP2K_USE_MPI=ON \
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-DCP2K_USE_MPI_F08=ON \
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-DCP2K_USE_LIBXSMM=ON \
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-DCP2K_USE_SUPERLU=OFF \
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-DCP2K_USE_PLUMED=ON \
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-DCP2K_USE_SPLA=ON \
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-DCP2K_USE_METIS=OFF \
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-DCP2K_USE_ELPA=ON \
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-DCP2K_USE_COSMA=ON \
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-DCP2K_USE_SIRIUS=ON \
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-DCP2K_USE_QUIP=OFF \
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-DCP2K_USE_PEXSI=OFF \
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-DCP2K_USE_LIBTORCH=OFF \
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-DCP2K_USE_DLAF=ON \
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.. |& tee ./cmake.log
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CMAKE_EXIT_CODE=$?
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@ -88,8 +97,9 @@ elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "sdbg" ]]; then
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CMAKE_EXIT_CODE=$?
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elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "psmp" ]]; then
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# TODO Fix ELPA, COSMA, SIRIUS, QUIP, PEXSI, and Torch.
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# TODO Fix ELPA, COSMA, SIRIUS, and Torch.
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# https://github.com/cp2k/cp2k/issues/3416
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# NOTE: pexsi and quip are deprecated in #3600
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cmake \
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-GNinja \
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-DCMAKE_INSTALL_PREFIX=/opt/cp2k \
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