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toolchain: rely on CMake MKL detection

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This commit is contained in:
RTChou67 2026-07-08 00:39:37 +08:00
parent 95115653c3
commit 6e5d37c2b7
1 changed files with 1 additions and 4 deletions
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5
tools/toolchain/build_cp2k.sh
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@ -196,10 +196,7 @@ if [ "${math_mode}" = "mkl" ]; then
if [ -z "${MKLROOT}" ]; then
report_error ${LINENO} "math_mode is mkl, but MKLROOT is not set by ${TOOLCHAIN_INSTALL_DIR}/setup."
fi
CMAKE_OPTIONS+=" -DMKL_ROOT=${MKLROOT} -DCP2K_BLAS_VENDOR=MKL -DCP2K_BLAS_THREADING=sequential"
if [ "${mpi_mode}" != "no" ] && [ "${MKL_SCALAPACK}" = "yes" ]; then
CMAKE_OPTIONS+=" -DCP2K_SCALAPACK_VENDOR=MKL"
fi
CMAKE_OPTIONS+=" -DCP2K_BLAS_VENDOR=MKL -DCP2K_BLAS_THREADING=sequential"
fi
if [ -n "$(grep -- "--install-all" "${TOOLCHAIN_ROOTDIR}/toolchain_settings")" ]; then
CMAKE_OPTIONS+=" -DCP2K_USE_EVERYTHING=ON -DCP2K_USE_DLAF=OFF -DCP2K_USE_PEXSI=OFF -DCP2K_USE_OPENPMD=OFF"