From 489269c467aca7bdef4189fbdbee8f48eba8cb90 Mon Sep 17 00:00:00 2001 From: edoapra Date: Wed, 6 Apr 2022 18:23:21 -0700 Subject: [PATCH] gfortran-9 needed for tblite --- .github/workflows/github_actions.yml | 2 +- src/libext/tblite/build_tblite_cmake.sh | 12 ++++++++++++ 2 files changed, 13 insertions(+), 1 deletion(-) diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml index d3b3267415..87ea3afaec 100644 --- a/.github/workflows/github_actions.yml +++ b/.github/workflows/github_actions.yml @@ -46,7 +46,7 @@ jobs: mpi_impl: openmpi armci_network: MPI-TS nwchem_modules: "xtb" - fc: gfortran + fc: gfortran-9 blas: "build_openblas" use_tblite: 1 - os: ubuntu-18.04 diff --git a/src/libext/tblite/build_tblite_cmake.sh b/src/libext/tblite/build_tblite_cmake.sh index 91baaaa6bc..7ed7e81474 100755 --- a/src/libext/tblite/build_tblite_cmake.sh +++ b/src/libext/tblite/build_tblite_cmake.sh @@ -86,6 +86,18 @@ fi if [[ ! -z "$BUILD_OPENBLAS" ]] ; then BLASOPT="-L`pwd`/../lib -lnwc_openblas" fi +if [[ `${FC} -dM -E - < /dev/null 2> /dev/null | grep -c GNU` > 0 ]] ; then + let GCCVERSIONGT8=$(expr `${FC} -dumpversion | cut -f1 -d.` \> 8) +fi +# check gfortran version +if [[ ${GCCVERSIONGT8} != 1 ]]; then + echo + echo you have gfortran version $(${FC} -dumpversion | cut -f1 -d.) + echo gcc version 9 and later needed for tblite + echo + exit 1 +fi + cd tblite rm -rf _build