From a883fa60cb984b761f21947eedfbcec2e59bb153 Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 23 Sep 2019 21:04:23 -0700 Subject: [PATCH] added pyqa3 test --- .travis.yml | 2 +- travis/run_qas.sh | 5 ++++- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/.travis.yml b/.travis.yml index fdb410b329..63a9261202 100644 --- a/.travis.yml +++ b/.travis.yml @@ -10,7 +10,7 @@ env: - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi" - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-TS MPI_IMPL="mpich" - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PR MPI_IMPL="openmpi" - - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich" + - NWCHEM_MODULES="tinyqmpw python" ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich" - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich" USE_SIMINT=1 SIMINT_MAXAM=3 - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-MT MPI_IMPL="mpich" - NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI3 MPI_IMPL="mpich" diff --git a/travis/run_qas.sh b/travis/run_qas.sh index ae8679c933..da270c5835 100755 --- a/travis/run_qas.sh +++ b/travis/run_qas.sh @@ -55,7 +55,10 @@ set -ev head -2 $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out tail -20 $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs cosmo_h2o_dft - cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw + cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw + if [[ "$NWCHEM_MODULES" == "tinyqmpw python" ]]; then + cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pyqa3 + fi if [[ "$do_largeqas" == 1 ]]; then cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs dft_siosi3 h2o_opt cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tddft_h2o h2o2-response