admin/gitlab-ci/sample_restraint.gitlab-ci.yml

   1 # Base job definition for sample_restraint tests against GROMACS 2021.
   2 .sample_restraint:clang-8:gmx2021:
   3   extends:
   4     - .variables:default
   5     - .use-clang8
   6   stage: test
   7   variables:
   8     PLUGIN_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
   9     PLUGIN_MPI_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  10     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"
  11   script:
  12     - source $INSTALL_DIR/bin/GMXRC
  13     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-sample_restraint-2020.sh
  14   artifacts:
  15     reports:
  16       junit:
  17         - $PLUGIN_TEST_XML
  18         - $PLUGIN_MPI_TEST_XML
  19     when: always
  20     expire_in: 1 week
  21   needs:
  22     - job: gromacs:clang-8:build
  23       artifacts: true
  24
  25 sample_restraint:clang-8:gmx2021:py-3.6.10:
  26   extends:
  27     - .sample_restraint:clang-8:gmx2021
  28   rules:
  29     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  30       when: never
  31     # Allow explicit trigger through web interface.
  32     - if: '$GMX_GMXAPI_0_2'
  33       when: always
  34     - if: '$GROMACS_RELEASE'
  35       when: never
  36     # Run this job for master branch and merge-requests targeting it.
  37     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
  38       when: always
  39   variables:
  40     VENVPATH: "/root/venv/py3.6"
  41     PY_VER: "3.6.10"
  42
  43 sample_restraint:clang-8:gmx2021:py-3.7.7:
  44   extends:
  45     - .sample_restraint:clang-8:gmx2021
  46   rules:
  47     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  48       when: never
  49     # Allow explicit trigger through web interface.
  50     - if: '$GMX_GMXAPI_0_2'
  51       when: always
  52     - if: '$GROMACS_RELEASE'
  53       when: never
  54     # Run this job for master branch and merge-requests targeting it.
  55     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
  56       when: always
  57   variables:
  58     VENVPATH: "/root/venv/py3.7"
  59     PY_VER: "3.7.7"
  60
  61 sample_restraint:clang-8:gmx2021:py-3.8.2:
  62   extends:
  63     - .sample_restraint:clang-8:gmx2021
  64   rules:
  65     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  66       when: never
  67     # Allow explicit trigger through web interface.
  68     - if: '$GMX_GMXAPI_0_2'
  69       when: always
  70     - if: '$GROMACS_RELEASE'
  71       when: never
  72     # Run this job for master branch and merge-requests targeting it.
  73     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
  74       when: always
  75   variables:
  76     VENVPATH: "/root/venv/py3.8"
  77     PY_VER: "3.8.2"