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.travis.yml
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language: c
sudo: required
osx_image: xcode10.3
dist: bionic
os:
- osx
- linux
env:
- NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi"
- 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 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"
- NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi"
- NWCHEM_MODULES=tce ARMCI_NETWORK=MPI3 MPI_IMPL="mpich"
compiler:
- gcc
matrix:
exclude:
- os: osx
env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-TS MPI_IMPL="mpich"
allow_failures:
- os: osx
env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi"
- os: osx
env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PR MPI_IMPL="openmpi"
- os: osx
env: NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi"
- os: osx
env: NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi"
- os: osx
env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI3 MPI_IMPL="mpich"
- os: osx
env: NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich" USE_SIMINT=1 SIMINT_MAXAM=3
git:
depth: 32
before_script:
- printenv TRAVIS_BUILD_DIR
- ./travis/build_env.sh
- gfortran -v
- mpif90 -show
- ./travis/config_nwchem.sh
- sleep 1
script:
- ./travis/compile_nwchem.sh
- grep HAVE_SCA $TRAVIS_BUILD_DIR/src/tools/build/config.h || true
- ./travis/run_qas.sh
after_failure:
- tail -20 $TRAVIS_BUILD_DIR/src/tools/build/config.log
- tail -10 $TRAVIS_BUILD_DIR/src/tools/build/comex/config.log
- grep -A 2 -B 2 -i error $TRAVIS_BUILD_DIR/src/make.log
- head -200 $TRAVIS_BUILD_DIR/src/make.log
- tail -200 $TRAVIS_BUILD_DIR/src/make.log
- tail -200 $TRAVIS_BUILD_DIR/src/6log
- grep -i tce_energy $TRAVIS_BUILD_DIR/src/6log
- grep d= $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
- grep @ $TRAVIS_BUILD_DIR/QA/testoutputs/h2o_opt.out
- tail -30 $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
- tail -490 $TRAVIS_BUILD_DIR/QA/testoutputs/h2o2-response.out
- tail -30 $TRAVIS_BUILD_DIR/QA/testoutputs/prop_mep_gcube.out
- diff $TRAVIS_BUILD_DIR/QA/testoutputs/prop_ch3f.o*nw*
- diff $TRAVIS_BUILD_DIR/QA/testoutputs/h2o2-response.o*nw*
- diff $TRAVIS_BUILD_DIR/QA/testoutputs/tce_n2.o*nw*