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-clang:base
   6   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
   7   stage: test
   8   variables:
   9     PLUGIN_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  10     PLUGIN_MPI_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  11     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"
  12   script:
  13     - source $INSTALL_DIR/bin/GMXRC
  14     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-sample_restraint-2020.sh
  15   artifacts:
  16     reports:
  17       junit:
  18         - $PLUGIN_TEST_XML
  19         - $PLUGIN_MPI_TEST_XML
  20     when: always
  21     expire_in: 1 week
  22   needs:
  23     - job: gromacs:clang-8:build
  24       artifacts: true
  25
  26 sample_restraint:clang-8:gmx2021:py-3.6.10:
  27   extends:
  28     - .sample_restraint:clang-8:gmx2021
  29   rules:
  30     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  31       when: never
  32     # Allow explicit trigger through web interface.
  33     - if: '$GMX_GMXAPI_0_2'
  34       when: always
  35     - if: '$GROMACS_RELEASE'
  36       when: never
  37     # Run this job for master branch and merge-requests targeting it.
  38     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
  39       when: always
  40   variables:
  41     VENVPATH: "/root/venv/py3.6"
  42     PY_VER: "3.6.10"
  43
  44 sample_restraint:clang-8:gmx2021:py-3.7.7:
  45   extends:
  46     - .sample_restraint:clang-8:gmx2021
  47   rules:
  48     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  49       when: never
  50     # Allow explicit trigger through web interface.
  51     - if: '$GMX_GMXAPI_0_2'
  52       when: always
  53     - if: '$GROMACS_RELEASE'
  54       when: never
  55     # Run this job for master branch and merge-requests targeting it.
  56     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
  57       when: always
  58   variables:
  59     VENVPATH: "/root/venv/py3.7"
  60     PY_VER: "3.7.7"
  61
  62 sample_restraint:clang-8:gmx2021:py-3.8.2:
  63   extends:
  64     - .sample_restraint:clang-8:gmx2021
  65   rules:
  66     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  67       when: never
  68     # Allow explicit trigger through web interface.
  69     - if: '$GMX_GMXAPI_0_2'
  70       when: always
  71     - if: '$GROMACS_RELEASE'
  72       when: never
  73     # Run this job for master branch and merge-requests targeting it.
  74     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
  75       when: always
  76   variables:
  77     VENVPATH: "/root/venv/py3.8"
  78     PY_VER: "3.8.2"