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Fix path of launch script and PEXSI detection

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This commit is contained in:
Matthias Krack 2026-02-10 09:34:58 +01:00
parent 026a55ffeb
commit c4c8d7be26
1 changed files with 6 additions and 2 deletions
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8
make_cp2k.sh
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@ -768,7 +768,11 @@ Torch_DIR="$(dirname "$(find "${SPACK_ROOT}" ! -type l -name TorchConfig.cmake |
export Torch_DIR
# Check if PEXSI was built
CP2K_USE_PEXSI="$(grep -Eq '\s*#\s*-\s+"pexsi@' spack/cp2k_deps_psmp.yaml && echo OFF || echo ON)"
if [[ "${MPI_MODE}" != "no" ]]; then
CP2K_USE_PEXSI="$(grep -Eq '\s*#\s*-\s+"pexsi@' spack/cp2k_deps_psmp.yaml && echo OFF || echo ON)"
else
CP2K_USE_PEXSI="ON"
fi
export CP2K_USE_PEXSI
if [[ ! -d "${CMAKE_BUILD_PATH}" ]]; then
@ -1008,7 +1012,7 @@ else
else
echo ""
echo "*** A regression test run can be launched with"
echo " ${LAUNCH_SCRIPT}/bin/launch run_tests"
echo " ${LAUNCH_SCRIPT} run_tests"
echo ""
if [[ "${VERSION}" == "ssmp" ]]; then
echo "*** A CP2K run using 8 OpenMP threads (default) can be launched with"