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 - $PLUGIN_MPI_TEST_XML
24 - project: gromacs/gromacs
25 job: gromacs:clang-8:build
29 sample_restraint:clang-8:gmx2020:3.5.9:
31 - .sample_restraint:clang-8:gmx2020
32 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
34 - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
36 # Allow explicit trigger through web interface.
37 - if: '$GMX_GMXAPI_0_2'
39 - if: '$GROMACS_RELEASE'
41 # Run this job only for release-2020 branch and merge-requests targeting it.
42 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
44 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
49 VENVPATH: "/root/venv/py3.5"
52 sample_restraint:clang-8:gmx2020:py-3.6.10:
54 - .sample_restraint:clang-8:gmx2020
55 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
57 - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
59 # Allow explicit trigger through web interface.
60 - if: '$GMX_GMXAPI_0_2'
62 - if: '$GROMACS_RELEASE'
64 # Run this job only for release-2020 branch and merge-requests targeting it.
65 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
67 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
72 VENVPATH: "/root/venv/py3.6"
75 sample_restraint:clang-8:gmx2020:py-3.7.7:
77 - .sample_restraint:clang-8:gmx2020
78 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
80 - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
82 # Allow explicit trigger through web interface.
83 - if: '$GMX_GMXAPI_0_2'
85 - if: '$GROMACS_RELEASE'
87 # Run this job only for release-2020 branch and merge-requests targeting it.
88 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
90 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
95 VENVPATH: "/root/venv/py3.7"
98 sample_restraint:clang-8:gmx2020:py-3.8.2:
100 - .sample_restraint:clang-8:gmx2020
101 # Run only for changes affecting the python_packaging subdirectory of the release-2020 branch.
103 - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
105 # Allow explicit trigger through web interface.
106 - if: '$GMX_GMXAPI_0_2'
108 - if: '$GROMACS_RELEASE'
110 # Run this job only for release-2020 branch and merge-requests targeting it.
111 - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME != "release-2020" && $CI_COMMIT_BRANCH != "release-2020"'
113 # GROMACS 2020 API is final, so only test on schedules or when merge requests update the python_packaging sources.
118 VENVPATH: "/root/venv/py3.8"