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