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Apply outside "-ef/-df" logic

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Growl 2026-03-28 02:31:24 +08:00 • committed by Matthias Krack
parent 8a6febacc1
commit f4bd8eca22
1 changed files with 10 additions and 8 deletions
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18
make_cp2k.sh
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@ -300,7 +300,7 @@ while [[ $# -gt 0 ]]; do
ace)
SED_PATTERN_LIST+=" -e '/\s*-\s+\"p${2,,}@/ ${SUBST}"
;;
cosma | dftd4 | elpa | greenx | hdf5 | libsmeagol | libxc | pexsi | plumed | spglib | trexio)
cosma | dftd4 | elpa | greenx | hdf5 | libsmeagol | libxc | pexsi | plumed | spglib | tblite | trexio)
SED_PATTERN_LIST+=" -e '/\s*-\s+\"${2,,}@/ ${SUBST}"
;;
deepmd | libtorch)
@ -334,13 +334,6 @@ while [[ $# -gt 0 ]]; do
vori)
SED_PATTERN_LIST+=" -e '/\s*-\s+\"lib${2,,}@/ ${SUBST}"
;;
tblite)
SED_PATTERN_LIST+=" -e '/\s*-\s+\"${2,,}@/ ${SUBST}"
if [[ "${ON_OFF}" == "ON" ]]; then
echo "INFO: Enabling tblite. Automatically disabling standalone dftd4 to avoid potential conflicts."
SED_PATTERN_LIST+=" -e '/\s*-\s+\"dftd4@/ s/^ /#/'"
fi
;;
esac
;;
libvdwxc | spfft | spla | sirius)
@ -754,6 +747,15 @@ case "${MPI_MODE}" in
;;
esac
# Check if dftd4 and tblite are enabled at the same time; if so, install tblite only
if [[ "${CMAKE_FEATURE_FLAGS}" != *"-DCP2K_USE_TBLITE=OFF"* ]]; then
if [[ "${CMAKE_FEATURE_FLAG_ALL}" == *"-DCP2K_USE_EVERYTHING=ON"* ]] ||
[[ "${CMAKE_FEATURE_FLAGS}" == *"-DCP2K_USE_TBLITE=ON"* ]]; then
echo "INFO: Prioritizing tblite. Automatically disabling dftd4 to avoid conflicts."
SED_PATTERN_LIST+=" -e '/\s*-\s+\"dftd4@/ s/^ /#/'"
fi
fi
# Check if CP2K_VERSION and the selected features are compatible
case "${CP2K_VERSION}" in
ssmp | ssmp-static)