diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml index 4a475fb3d7..7e466e6910 100644 --- a/.github/workflows/github_actions.yml +++ b/.github/workflows/github_actions.yml @@ -136,6 +136,7 @@ jobs: nwchem_modules: "qmandpw qmd" fc: gfortran-11 cc: gcc-11 + use_libxc: -1 - os: ubuntu-20.04 experimental: true mpi_impl: mpich diff --git a/travis/build_env.sh b/travis/build_env.sh index b0c8b01c77..92eae5cf14 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -145,6 +145,9 @@ fi sudo apt-get -y install gcc-11 gfortran-11 g++-11 fi fi + if [[ "$USE_LIBXC" == "-1" ]]; then + sudo apt-get -y install libxc-dev + fi if [[ "$FC" == "ifort" ]] || [[ "$FC" == "ifx" ]]; then sh ./"$base".sh -a -c -s --action remove --install-dir $IONEAPI_ROOT --eula accept sh ./"$hpc".sh -a -c -s --action remove --install-dir $IONEAPI_ROOT --eula accept diff --git a/travis/nwchem.bashrc b/travis/nwchem.bashrc index 3cefc4935f..0caba2edf3 100644 --- a/travis/nwchem.bashrc +++ b/travis/nwchem.bashrc @@ -188,3 +188,9 @@ if [[ "$FC" == "gfortran" ]]; then export NWCHEM_MODULES=$(echo $NWCHEM_MODULES |sed 's/xtb//') fi fi + +if [[ "$USE_LIBXC" == "-1" ]]; then + unset USE_LIBXC + export LIBXC_LIB=/usr/lib/x86_64-linux-gnu + export LIBXC_INCLUDE=/usr/include +fi