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

   1 # Base job definition for sample_restraint tests against GROMACS 2021.
   2 .sample_restraint:gcc-7:gmx2021:
   3   extends:
   4     - .variables:default
   5     - .use-clang:base
   6   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7
   7   stage: test
   8   variables:
   9     KUBERNETES_CPU_LIMIT: 2
  10     KUBERNETES_CPU_REQUEST: 2
  11     KUBERNETES_MEMORY_LIMIT: 2Gi
  12     KUBERNETES_MEMORY_REQUEST: 2Gi
  13     PLUGIN_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  14     PLUGIN_MPI_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  15     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"
  16   script:
  17     - source $INSTALL_DIR/bin/GMXRC
  18     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-sample_restraint-2021.sh
  19   artifacts:
  20     reports:
  21       junit:
  22         - $PLUGIN_TEST_XML
  23         - $PLUGIN_MPI_TEST_XML
  24     when: always
  25     expire_in: 1 week
  26   tags:
  27     - k8s-scilifelab
  28   # The dependency means we need to use the same tag restriction as upstream.
  29   needs:
  30     - job: gromacs:gcc-7:build
  31       artifacts: true
  32
  33 sample_restraint:gcc-7:gmx2021:py-3.6.10:
  34   extends:
  35     - .sample_restraint:gcc-7:gmx2021
  36     - .rules:merge-requests:master
  37   variables:
  38     VENVPATH: "/root/venv/py3.6"
  39     PY_VER: "3.6.10"
  40
  41 sample_restraint:gcc-7:gmx2021:py-3.7.7:
  42   extends:
  43     - .sample_restraint:gcc-7:gmx2021
  44     - .rules:merge-requests:master
  45   variables:
  46     VENVPATH: "/root/venv/py3.7"
  47     PY_VER: "3.7.7"
  48
  49 sample_restraint:gcc-7:gmx2021:py-3.8.2:
  50   extends:
  51     - .sample_restraint:gcc-7:gmx2021
  52     - .rules:merge-requests:master
  53   variables:
  54     VENVPATH: "/root/venv/py3.8"
  55     PY_VER: "3.8.2"