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 KUBERNETES_CPU_LIMIT: 2
12 KUBERNETES_CPU_REQUEST: 2
13 KUBERNETES_MEMORY_LIMIT: 2Gi
14 KUBERNETES_MEMORY_REQUEST: 2Gi
15 PLUGIN_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
16 PLUGIN_MPI_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
17 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"
19 - source $INSTALL_DIR/bin/GMXRC
20 - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-sample_restraint-2020.sh
25 - $PLUGIN_MPI_TEST_XML
30 # The dependency means we need to use the same tag restriction as upstream.
32 # Note: if we want to run regression tests using artifacts from the `release-2020`
33 # pipelines, we could specify *project* and *ref*, but initially we are only
34 # testing within a single repository.
35 - job: gromacs:clang-8:build
38 sample_restraint:clang-8:gmx2020:3.5.9:
40 - .sample_restraint:clang-8:gmx2020
41 - .rules:merge-requests:release-2020
43 VENVPATH: "/root/venv/py3.5"
46 sample_restraint:clang-8:gmx2020:py-3.6.10:
48 - .sample_restraint:clang-8:gmx2020
49 - .rules:merge-requests:release-2020
51 VENVPATH: "/root/venv/py3.6"
54 sample_restraint:clang-8:gmx2020:py-3.7.7:
56 - .sample_restraint:clang-8:gmx2020
57 - .rules:merge-requests:release-2020
59 VENVPATH: "/root/venv/py3.7"
62 sample_restraint:clang-8:gmx2020:py-3.8.2:
64 - .sample_restraint:clang-8:gmx2020
65 - .rules:merge-requests:release-2020
67 VENVPATH: "/root/venv/py3.8"