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:
10 PLUGIN_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
11 PLUGIN_MPI_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
12 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"
14 - source $INSTALL_DIR/bin/GMXRC
15 - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-sample_restraint-2020.sh
20 - $PLUGIN_MPI_TEST_XML
24 - project: gromacs/gromacs
25 job: gromacs:clang-8:build
29 sample_restraint:clang-8:gmx2020:3.5.9:
31 - .sample_restraint:clang-8:gmx2020
32 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
34 # Allow explicit trigger through web interface.
35 - if: '$GMX_GMXAPI_0_2'
37 - if: '$GROMACS_RELEASE'
39 # Run this job only for release-2020 branch and merge-requests targeting it.
40 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
42 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
47 VENVPATH: "/root/venv/py3.5"
50 sample_restraint:clang-8:gmx2020:py-3.6.10:
52 - .sample_restraint:clang-8:gmx2020
53 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
55 # Allow explicit trigger through web interface.
56 - if: '$GMX_GMXAPI_0_2'
58 - if: '$GROMACS_RELEASE'
60 # Run this job only for release-2020 branch and merge-requests targeting it.
61 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
63 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
68 VENVPATH: "/root/venv/py3.6"
71 sample_restraint:clang-8:gmx2020:py-3.7.7:
73 - .sample_restraint:clang-8:gmx2020
74 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
76 # Allow explicit trigger through web interface.
77 - if: '$GMX_GMXAPI_0_2'
79 - if: '$GROMACS_RELEASE'
81 # Run this job only for release-2020 branch and merge-requests targeting it.
82 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
84 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
89 VENVPATH: "/root/venv/py3.7"
92 sample_restraint:clang-8:gmx2020:py-3.8.2:
94 - .sample_restraint:clang-8:gmx2020
95 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
97 # Allow explicit trigger through web interface.
98 - if: '$GMX_GMXAPI_0_2'
100 - if: '$GROMACS_RELEASE'
102 # Run this job only for release-2020 branch and merge-requests targeting it.
103 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
105 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
110 VENVPATH: "/root/venv/py3.8"