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Merge pull request #786 from edoapra/master

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NWChem: Open Source High-Performance Computational Chemistry 2023-05-26 19:46:06 -07:00 • committed by GitHub
commit 2af401c64f
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2 changed files with 6 additions and 1 deletions
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2
src/config/strip_compiler.sh
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@ -5,6 +5,8 @@ if [[ "$1" == *fortran* ]] && [[ ! -z $_FC ]]; then
echo $_FC
elif [[ "$1" == *cc* ]] && [[ ! -z $_CC ]]; then
echo $_CC
elif [[ "$1" == *gfortran* ]] ; then
echo gfortran
else
echo $(basename -- $1 | cut -d \- -f 1 | sed 's/[0-9]*//g')
fi

5
src/libext/tblite/build_tblite_cmake.sh
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@ -82,6 +82,7 @@ if [[ -n ${FC} ]] && [[ ${FC} == ftn ]]; then
fi
FC_EXTRA=$(${NWCHEM_TOP}/src/config/strip_compiler.sh ${FC})
echo FC_EXTRA is $FC_EXTRA
#Intel MPI
if [[ -z "$I_MPI_F90" ]] ; then
@ -196,7 +197,9 @@ fi
if [[ ${FC} == nvfortran ]] || [[ ${FC} == pgf90 ]]; then
Fortran_FLAGS+="-Mbackslash -fast -tp host"
fi
if [ ! -z "${CONDA_BUILD_SYSROOT}" ]; then
Fortran_FLAGS+="-Wl,-rpath,${PREFIX}/lib -L${PREFIX}/lib"
fi
if [[ -z "$USE_OPENMP" ]]; then
DOOPENMP=OFF
else