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Cleanup LibXC handling in CMake

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Rocco Meli 2025-01-31 15:55:53 +01:00 • committed by GitHub
parent 35f4375abe
commit a2ea924e12
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5 changed files with 8 additions and 67 deletions
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tools/docker/scripts/build_cp2k_cmake.sh
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@ -182,6 +182,7 @@ elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "pdbg" ]]; then
elif [[ "${PROFILE}" == "ubuntu" ]] && [[ "${VERSION}" == "ssmp" ]]; then
# TODO fix spglib https://github.com/cp2k/cp2k/issues/3414
# NOTE: libxc 5.2.3 is provided, CP2K requires libxc 7
cmake \
-GNinja \
-DCMAKE_INSTALL_PREFIX=/opt/cp2k \
@ -190,6 +191,7 @@ elif [[ "${PROFILE}" == "ubuntu" ]] && [[ "${VERSION}" == "ssmp" ]]; then
-DCP2K_USE_LIBINT2=ON \
-DCP2K_USE_LIBXC=ON \
-DCP2K_USE_FFTW3=ON \
-DCP2K_USE_LIBXC=OFF \
-DCP2K_USE_LIBXSMM=ON \
-DCP2K_USE_SPGLIB=OFF \
-DCP2K_USE_MPI=OFF \