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add bse test to github actions

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edoapra 2025-10-16 11:47:13 -07:00
parent 76e1cdd6d1
commit 8fcfebde27
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travis/run_qas.sh
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@ -132,6 +132,9 @@ fi
cd $TRAVIS_BUILD_DIR/QA && ./runtests.mpi.unix procs $nprocs ritddft_h2o ritddft_co
cd $TRAVIS_BUILD_DIR/QA && NWCHEM_BASIS_LIBRARY=${NWCHEM_TOP}/src/basis/libraries.bse/ ./runtests.mpi.unix procs $nprocs gw_closedshell gw_openshell gw_symmetry
fi
if [[ ! $(grep -i bse $TRAVIS_BUILD_DIR/src/stubs.F| awk '/bse_input/') ]]; then
cd $TRAVIS_BUILD_DIR/QA && NWCHEM_BASIS_LIBRARY=${NWCHEM_TOP}/src/basis/libraries.bse/ ./runtests.mpi.unix procs $nprocs bse_ethene
fi
if [[ ! $(grep -i dplot $TRAVIS_BUILD_DIR/src/stubs.F| awk '/dplot_input/') ]]; then
cd $TRAVIS_BUILD_DIR/QA && ./runtests.mpi.unix procs $nprocs rt_tddft_dplot
fi