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: ${CI_REGISTRY}/gromacs/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     KUBERNETES_MEMORY_REQUEST: 2Gi
  17     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  18     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  19     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  20     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  21     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"
  22   script:
  23     - source $INSTALL_DIR/bin/GMXRC
  24     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-py-gmxapi-0.1.sh
  25   # Note that the XML output is concatenated when multiple reports are produced
  26   # by a single job. If this presents problems, we may have to split the tests
  27   # into multiple jobs. In particular, test names will appear once for MPI and
  28   # once for non-MPI runs, which may confuse the test result parser.
  29   artifacts:
  30     reports:
  31       junit:
  32         - $PY_UNIT_TEST_XML
  33         - $PY_MPI_UNIT_TEST_XML
  34         - $PY_ACCEPTANCE_TEST_XML
  35         - $PY_MPI_ACCEPTANCE_TEST_XML
  36     when: always
  37     expire_in: 1 week
  38   tags:
  39     - k8s-scilifelab
  40   # The dependency means we need to use the same tag restriction as upstream.
  41   needs:
  42     - job: gromacs:clang-8:build
  43       artifacts: true
  44
  45 gmxapi-0.1:clang-8:py-3.5.9:
  46   extends:
  47     - .gmxapi-0.1:clang-8
  48     - .rules:merge-requests:release-2020
  49   variables:
  50     VENVPATH: "/root/venv/py3.5"
  51     PY_VER: "3.5.9"
  52
  53 gmxapi-0.1:clang-8:py-3.6.10:
  54   extends:
  55     - .gmxapi-0.1:clang-8
  56     - .rules:merge-requests:release-2020
  57   variables:
  58     VENVPATH: "/root/venv/py3.6"
  59     PY_VER: "3.6.10"
  60
  61 gmxapi-0.1:clang-8:py-3.7.7:
  62   extends:
  63     - .gmxapi-0.1:clang-8
  64     - .rules:merge-requests:release-2020
  65   variables:
  66     VENVPATH: "/root/venv/py3.7"
  67     PY_VER: "3.7.7"
  68
  69 gmxapi-0.1:clang-8:py-3.8.2:
  70   extends:
  71     - .gmxapi-0.1:clang-8
  72     - .rules:merge-requests:release-2020
  73   variables:
  74     VENVPATH: "/root/venv/py3.8"
  75     PY_VER: "3.8.2"
  76
  77 .gmxapi-0.2:gcc-7:gmx2021:
  78   extends:
  79     - .variables:default
  80     - .use-clang:base
  81   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7
  82   stage: test
  83   variables:
  84     KUBERNETES_CPU_LIMIT: 2
  85     KUBERNETES_CPU_REQUEST: 2
  86     KUBERNETES_MEMORY_LIMIT: 2Gi
  87     KUBERNETES_MEMORY_REQUEST: 2Gi
  88     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  89     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  90     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  91     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  92   script:
  93     - source $INSTALL_DIR/bin/GMXRC
  94     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
  95   artifacts:
  96     reports:
  97       junit:
  98         - $PY_UNIT_TEST_XML
  99         - $PY_MPI_UNIT_TEST_XML
 100         - $PY_ACCEPTANCE_TEST_XML
 101         - $PY_MPI_ACCEPTANCE_TEST_XML
 102     when: always
 103     expire_in: 1 week
 104   tags:
 105     - k8s-scilifelab
 106   # The dependency means we need to use the same tag restriction as upstream.
 107   needs:
 108     - job: gromacs:gcc-7:build
 109       artifacts: true
 110
 111 gmxapi-0.2:gcc-7:gmx2021:py-3.6.10:
 112   extends:
 113     - .gmxapi-0.2:gcc-7:gmx2021
 114     - .rules:merge-requests:master
 115   variables:
 116     VENVPATH: "/root/venv/py3.6"
 117     PY_VER: "3.6.10"
 118
 119 gmxapi-0.2:gcc-7:gmx2021:py-3.7.7:
 120   extends:
 121     - .gmxapi-0.2:gcc-7:gmx2021
 122     - .rules:merge-requests:master
 123   variables:
 124     VENVPATH: "/root/venv/py3.7"
 125     PY_VER: "3.7.7"
 126
 127 gmxapi-0.2:gcc-7:gmx2021:py-3.8.2:
 128   extends:
 129     - .gmxapi-0.2:gcc-7:gmx2021
 130     - .rules:merge-requests:master
 131   variables:
 132     VENVPATH: "/root/venv/py3.8"
 133     PY_VER: "3.8.2"