1 # Test for API regression or unexpected breakage.
3 # Base job definition for sample_restraint tests against GROMACS 2020.
4 .sample_restraint:clang-8:gmx2020:
8 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
11 PLUGIN_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
12 PLUGIN_MPI_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
13 EXTRA_INSTALLS: "curl libbz2-dev libffi-dev liblzma-dev libncurses5-dev libncursesw5-dev libreadline-dev libsqlite3-dev libssl-dev llvm python-openssl tk-dev zlib1g-dev"
15 - source $INSTALL_DIR/bin/GMXRC
16 - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-sample_restraint-2020.sh
21 - $PLUGIN_MPI_TEST_XML
26 # The dependency means we need to use the same tag restriction as upstream.
28 # Note: if we want to run regression tests using artifacts from the `release-2020`
29 # pipelines, we could specify *project* and *ref*, but initially we are only
30 # testing within a single repository.
31 - job: gromacs:clang-8:build
34 sample_restraint:clang-8:gmx2020:py-3.6.10:
36 - .sample_restraint:clang-8:gmx2020
37 - .rules:merge-requests
39 VENVPATH: "/root/venv/py3.6"
42 sample_restraint:clang-8:gmx2020:py-3.7.7:
44 - .sample_restraint:clang-8:gmx2020
45 - .rules:merge-requests
47 VENVPATH: "/root/venv/py3.7"
50 sample_restraint:clang-8:gmx2020:py-3.8.2:
52 - .sample_restraint:clang-8:gmx2020
53 - .rules:merge-requests
55 VENVPATH: "/root/venv/py3.8"