admin/gitlab-ci/python-gmxapi.gitlab-ci.yml

   1 #
   2 # Jobs to test gmxapi client (Python) packages
   3 #
   4
   5 # Base job definition for gmxapi 0.1 tests against GROMACS 2020 in clang-8 environments.
   6 .gmxapi-0.1:clang-8:
   7   extends:
   8     - .variables:default
   9     - .use-clang:base
  10   stage: test
  11   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
  12   variables:
  13     KUBERNETES_CPU_LIMIT: 2
  14     KUBERNETES_CPU_REQUEST: 2
  15     KUBERNETES_MEMORY_LIMIT: 2Gi
  16     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  17     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  18     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  19     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  20     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"
  21   script:
  22     - source $INSTALL_DIR/bin/GMXRC
  23     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash admin/ci-scripts/build-and-test-py-gmxapi-0.1.sh
  24   # Note that the XML output is concatenated when multiple reports are produced
  25   # by a single job. If this presents problems, we may have to split the tests
  26   # into multiple jobs. In particular, test names will appear once for MPI and
  27   # once for non-MPI runs, which may confuse the test result parser.
  28   artifacts:
  29     reports:
  30       junit:
  31         - $PY_UNIT_TEST_XML
  32         - $PY_MPI_UNIT_TEST_XML
  33         - $PY_ACCEPTANCE_TEST_XML
  34         - $PY_MPI_ACCEPTANCE_TEST_XML
  35     when: always
  36     expire_in: 1 week
  37   tags:
  38   # The dependency means we need to use the same tag restriction as upstream.
  39   needs:
  40     - job: gromacs:clang-8:build
  41       artifacts: true
  42
  43 gmxapi-0.1:clang-8:py-3.5.9:
  44   extends:
  45     - .gmxapi-0.1:clang-8
  46     - .rules:merge-requests:release-2020
  47   variables:
  48     VENVPATH: "/root/venv/py3.5"
  49     PY_VER: "3.5.9"
  50
  51 gmxapi-0.1:clang-8:py-3.6.10:
  52   extends:
  53     - .gmxapi-0.1:clang-8
  54     - .rules:merge-requests:release-2020
  55   variables:
  56     VENVPATH: "/root/venv/py3.6"
  57     PY_VER: "3.6.10"
  58
  59 gmxapi-0.1:clang-8:py-3.7.7:
  60   extends:
  61     - .gmxapi-0.1:clang-8
  62     - .rules:merge-requests:release-2020
  63   variables:
  64     VENVPATH: "/root/venv/py3.7"
  65     PY_VER: "3.7.7"
  66
  67 gmxapi-0.1:clang-8:py-3.8.2:
  68   extends:
  69     - .gmxapi-0.1:clang-8
  70     - .rules:merge-requests:release-2020
  71   variables:
  72     VENVPATH: "/root/venv/py3.8"
  73     PY_VER: "3.8.2"
  74
  75 # Base job definition for gmxapi 0.2 tests against GROMACS 2021 in clang-8 environments.
  76 .gmxapi-0.2:clang-8:gmx2021:
  77   extends:
  78     - .variables:default
  79     - .use-clang:base
  80   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
  81   stage: test
  82   variables:
  83     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  84     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  85     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  86     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  87   script:
  88     - source $INSTALL_DIR/bin/GMXRC
  89     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
  90   artifacts:
  91     reports:
  92       junit:
  93         - $PY_UNIT_TEST_XML
  94         - $PY_MPI_UNIT_TEST_XML
  95         - $PY_ACCEPTANCE_TEST_XML
  96         - $PY_MPI_ACCEPTANCE_TEST_XML
  97     when: always
  98     expire_in: 1 week
  99   tags:
 100   # The dependency means we need to use the same tag restriction as upstream.
 101   needs:
 102     - job: gromacs:clang-8:build
 103       artifacts: true
 104
 105 gmxapi-0.2:clang-8:gmx2021:py-3.6.10:
 106   extends:
 107     - .gmxapi-0.2:clang-8:gmx2021
 108     - .rules:merge-requests:master
 109   variables:
 110     VENVPATH: "/root/venv/py3.6"
 111     PY_VER: "3.6.10"
 112
 113 gmxapi-0.2:clang-8:gmx2021:py-3.7.7:
 114   extends:
 115     - .gmxapi-0.2:clang-8:gmx2021
 116     - .rules:merge-requests:master
 117   variables:
 118     VENVPATH: "/root/venv/py3.7"
 119     PY_VER: "3.7.7"
 120
 121 gmxapi-0.2:clang-8:gmx2021:py-3.8.2:
 122   extends:
 123     - .gmxapi-0.2:clang-8:gmx2021
 124     - .rules:merge-requests:master
 125   variables:
 126     VENVPATH: "/root/venv/py3.8"
 127     PY_VER: "3.8.2"