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 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   tags:
  23   # The dependency means we need to use the same tag restriction as upstream.
  24   needs:
  25     - job: gromacs:clang-8:build
  26       artifacts: true
  27
  28 sample_restraint:clang-8:gmx2021:py-3.6.10:
  29   extends:
  30     - .sample_restraint:clang-8:gmx2021
  31     - .rules:merge-requests:master
  32   variables:
  33     VENVPATH: "/root/venv/py3.6"
  34     PY_VER: "3.6.10"
  35
  36 sample_restraint:clang-8:gmx2021:py-3.7.7:
  37   extends:
  38     - .sample_restraint:clang-8:gmx2021
  39     - .rules:merge-requests:master
  40   variables:
  41     VENVPATH: "/root/venv/py3.7"
  42     PY_VER: "3.7.7"
  43
  44 sample_restraint:clang-8:gmx2021:py-3.8.2:
  45   extends:
  46     - .sample_restraint:clang-8:gmx2021
  47     - .rules:merge-requests:master
  48   variables:
  49     VENVPATH: "/root/venv/py3.8"
  50     PY_VER: "3.8.2"