diff --git a/make_cp2k.sh b/make_cp2k.sh index db68caf69e..ef92069c5e 100755 --- a/make_cp2k.sh +++ b/make_cp2k.sh @@ -266,8 +266,6 @@ while [[ $# -gt 0 ]]; do SED_PATTERN_LIST+=" -e '/\s*-\s+\"mimic-mcl@/ ${SUBST}" ;; openpmd | adios2) - CMAKE_FEATURE_FLAGS+=" -DCP2K_USE_ADIOS2=${ON_OFF}" - CMAKE_FEATURE_FLAGS+=" -DCP2K_USE_OPENPMD=${ON_OFF}" SED_PATTERN_LIST+=" -e '/\s*-\s+\"adios2@/ ${SUBST}" SED_PATTERN_LIST+=" -e '/\s*-\s+\"openpmd-api@/ ${SUBST}" ;; @@ -815,11 +813,7 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then # Apply Cray specific adaptation of the spack configuration if requested if [[ "${CRAY}" == "yes" ]]; then - sed -E \ - -e '0,/\s*-\s+mpich/ s/mpich/cray-mpich/' \ - -e '/\s*-\s+"mpich@/ s/^ /#/' \ - -e '/\s*#\s*-\s+"cray-mpich@/ s/#/ /' \ - -i "${CP2K_CONFIG_FILE}" + sed -E -e 's/~xpmem/+xpmem/' -i "${CP2K_CONFIG_FILE}" fi # Apply feature selection to spack configuration file @@ -1160,7 +1154,7 @@ export LD_LIBRARY_PATH="${INSTALL_PREFIX}/lib:${LD_LIBRARY_PATH}" search_paths="${SPACK_ROOT}/opt/spack/view ${INSTALL_PREFIX}/lib" # Retrieve paths to all libraries needed by the CP2k binary -for library in $(readelf -d "${INSTALL_PREFIX}/bin/cp2k.${VERSION}" | awk '/NEEDED/{print $5}' | tr -d '[]'); do +for library in $(readelf -d "${INSTALL_PREFIX}/bin/cp2k.${VERSION}" "${INSTALL_PREFIX}"/lib/libcp2k.* | awk '/NEEDED/{print $5}' | tr -d '[]' | sort | uniq); do # Search for missing library path if ! ldconfig -p | grep -qE "/${library}$"; then # shellcheck disable=SC2086