Enable COSMA, ELPA, libVORI, PLUMED, SIRIUS, SPLA in CMake + Spack CI build

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Rocco Meli 2025-01-17 16:44:50 +01:00 committed by GitHub
parent 3cfc7bce31
commit 343e2d28e9
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GPG key ID: B5690EEEBB952194
6 changed files with 60 additions and 50 deletions

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