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   artifacts:
  25     reports:
  26       junit:
  27         - $PY_UNIT_TEST_XML
  28         - $PY_MPI_UNIT_TEST_XML
  29         - $PY_ACCEPTANCE_TEST_XML
  30         - $PY_MPI_ACCEPTANCE_TEST_XML
  31     when: always
  32     expire_in: 1 week
  33   tags:
  34     - k8s-scilifelab
  35   # The dependency means we need to use the same tag restriction as upstream.
  36   needs:
  37     - job: gromacs:clang-8:build
  38       artifacts: true
  39
  40 gmxapi-0.1:clang-8:py-3.5.9:
  41   extends:
  42     - .gmxapi-0.1:clang-8
  43     - .rules:merge-requests:release-2020
  44   variables:
  45     VENVPATH: "/root/venv/py3.5"
  46     PY_VER: "3.5.9"
  47
  48 gmxapi-0.1:clang-8:py-3.6.10:
  49   extends:
  50     - .gmxapi-0.1:clang-8
  51     - .rules:merge-requests:release-2020
  52   variables:
  53     VENVPATH: "/root/venv/py3.6"
  54     PY_VER: "3.6.10"
  55
  56 gmxapi-0.1:clang-8:py-3.7.7:
  57   extends:
  58     - .gmxapi-0.1:clang-8
  59     - .rules:merge-requests:release-2020
  60   variables:
  61     VENVPATH: "/root/venv/py3.7"
  62     PY_VER: "3.7.7"
  63
  64 gmxapi-0.1:clang-8:py-3.8.2:
  65   extends:
  66     - .gmxapi-0.1:clang-8
  67     - .rules:merge-requests:release-2020
  68   variables:
  69     VENVPATH: "/root/venv/py3.8"
  70     PY_VER: "3.8.2"
  71
  72 # Base job definition for gmxapi 0.2 tests against GROMACS 2021 in clang-8 environments.
  73 .gmxapi-0.2:clang-8:gmx2021:
  74   extends:
  75     - .variables:default
  76     - .use-clang:base
  77   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
  78   stage: test
  79   variables:
  80     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  81     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  82     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  83     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  84   script:
  85     - source $INSTALL_DIR/bin/GMXRC
  86     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
  87   artifacts:
  88     reports:
  89       junit:
  90         - $PY_UNIT_TEST_XML
  91         - $PY_MPI_UNIT_TEST_XML
  92         - $PY_ACCEPTANCE_TEST_XML
  93         - $PY_MPI_ACCEPTANCE_TEST_XML
  94     when: always
  95     expire_in: 1 week
  96   tags:
  97     - k8s-scilifelab
  98   # The dependency means we need to use the same tag restriction as upstream.
  99   needs:
 100     - job: gromacs:clang-8:build
 101       artifacts: true
 102
 103 gmxapi-0.2:clang-8:gmx2021:py-3.6.10:
 104   extends:
 105     - .gmxapi-0.2:clang-8:gmx2021
 106     - .rules:merge-requests:master
 107   variables:
 108     VENVPATH: "/root/venv/py3.6"
 109     PY_VER: "3.6.10"
 110
 111 gmxapi-0.2:clang-8:gmx2021:py-3.7.7:
 112   extends:
 113     - .gmxapi-0.2:clang-8:gmx2021
 114     - .rules:merge-requests:master
 115   variables:
 116     VENVPATH: "/root/venv/py3.7"
 117     PY_VER: "3.7.7"
 118
 119 gmxapi-0.2:clang-8:gmx2021:py-3.8.2:
 120   extends:
 121     - .gmxapi-0.2:clang-8:gmx2021
 122     - .rules:merge-requests:master
 123   variables:
 124     VENVPATH: "/root/venv/py3.8"
 125     PY_VER: "3.8.2"