diff --git a/tools/docker/scripts/build_cp2k_cmake.sh b/tools/docker/scripts/build_cp2k_cmake.sh index 590af2b242..e783e3d429 100755 --- a/tools/docker/scripts/build_cp2k_cmake.sh +++ b/tools/docker/scripts/build_cp2k_cmake.sh @@ -40,6 +40,7 @@ if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then -DCP2K_USE_SPGLIB=ON \ -DCP2K_USE_LIBINT2=ON \ -DCP2K_USE_LIBXC=ON \ + -DCP2K_USE_LIBXSMM=ON \ -DCP2K_USE_LIBTORCH=OFF \ -DCP2K_USE_MPI=ON \ -DCP2K_USE_MPI_F08=ON \ @@ -56,6 +57,7 @@ elif [[ "${PROFILE}" == "toolchain" ]] && [[ "${VERSION}" == "ssmp" ]]; then -DCP2K_USE_LIBXC=ON \ -DCP2K_USE_FFTW3=ON \ -DCP2K_USE_SPGLIB=ON \ + -DCP2K_USE_LIBXSMM=ON \ -DCP2K_USE_VORI=ON \ -DCP2K_USE_MPI=OFF \ -DCP2K_USE_MPI_F08=OFF \ @@ -188,6 +190,7 @@ elif [[ "${PROFILE}" == "minimal" ]] && [[ "${VERSION}" == "ssmp" ]]; then -DCP2K_USE_FFTW3=OFF \ -DCP2K_USE_MPI=OFF \ -DCP2K_USE_MPI_F08=OFF \ + -DCP2K_USE_LIBXSMM=OFF \ -DCP2K_USE_VORI=OFF \ -DCP2K_USE_COSMA=OFF \ -DCP2K_USE_DLAF=OFF \