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     - k8s-scilifelab
  24   # The dependency means we need to use the same tag restriction as upstream.
  25   needs:
  26     - job: gromacs:clang-8:build
  27       artifacts: true
  28
  29 sample_restraint:clang-8:gmx2021:py-3.6.10:
  30   extends:
  31     - .sample_restraint:clang-8:gmx2021
  32     - .rules:merge-requests:master
  33   variables:
  34     VENVPATH: "/root/venv/py3.6"
  35     PY_VER: "3.6.10"
  36
  37 sample_restraint:clang-8:gmx2021:py-3.7.7:
  38   extends:
  39     - .sample_restraint:clang-8:gmx2021
  40     - .rules:merge-requests:master
  41   variables:
  42     VENVPATH: "/root/venv/py3.7"
  43     PY_VER: "3.7.7"
  44
  45 sample_restraint:clang-8:gmx2021:py-3.8.2:
  46   extends:
  47     - .sample_restraint:clang-8:gmx2021
  48     - .rules:merge-requests:master
  49   variables:
  50     VENVPATH: "/root/venv/py3.8"
  51     PY_VER: "3.8.2"