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     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  14     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  15     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  16     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  17     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"
  18   script:
  19     - source $INSTALL_DIR/bin/GMXRC
  20     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-py-gmxapi-0.1.sh
  21   artifacts:
  22     reports:
  23       junit:
  24         - $PY_UNIT_TEST_XML
  25         - $PY_MPI_UNIT_TEST_XML
  26         - $PY_ACCEPTANCE_TEST_XML
  27         - $PY_MPI_ACCEPTANCE_TEST_XML
  28     when: always
  29     expire_in: 1 week
  30   tags:
  31     - k8s-scilifelab
  32   # The dependency means we need to use the same tag restriction as upstream.
  33   needs:
  34     - job: gromacs:clang-8:build
  35       artifacts: true
  36
  37 gmxapi-0.1:clang-8:py-3.6.10:
  38   extends:
  39     - .gmxapi-0.1:clang-8
  40     - .rules:merge-requests
  41   variables:
  42     VENVPATH: "/root/venv/py3.6"
  43     PY_VER: "3.6.10"
  44
  45 gmxapi-0.1:clang-8:py-3.7.7:
  46   extends:
  47     - .gmxapi-0.1:clang-8
  48     - .rules:merge-requests
  49   variables:
  50     VENVPATH: "/root/venv/py3.7"
  51     PY_VER: "3.7.7"
  52
  53 gmxapi-0.1:clang-8:py-3.8.2:
  54   extends:
  55     - .gmxapi-0.1:clang-8
  56     - .rules:merge-requests
  57   variables:
  58     VENVPATH: "/root/venv/py3.8"
  59     PY_VER: "3.8.2"
  60
  61 # Base job definition for gmxapi 0.2 tests against GROMACS 2021 in clang-8 environments.
  62 .gmxapi-0.2:clang-8:gmx2021:
  63   extends:
  64     - .variables:default
  65     - .use-clang:base
  66   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
  67   stage: test
  68   variables:
  69     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
  70     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
  71     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
  72     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  73   script:
  74     - source $INSTALL_DIR/bin/GMXRC
  75     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
  76   artifacts:
  77     reports:
  78       junit:
  79         - $PY_UNIT_TEST_XML
  80         - $PY_MPI_UNIT_TEST_XML
  81         - $PY_ACCEPTANCE_TEST_XML
  82         - $PY_MPI_ACCEPTANCE_TEST_XML
  83     when: always
  84     expire_in: 1 week
  85   tags:
  86     - k8s-scilifelab
  87   # The dependency means we need to use the same tag restriction as upstream.
  88   needs:
  89     - job: gromacs:clang-8:build
  90       artifacts: true
  91
  92 gmxapi-0.2:clang-8:gmx2021:py-3.6.10:
  93   extends:
  94     - .gmxapi-0.2:clang-8:gmx2021
  95     - .rules:merge-requests
  96   variables:
  97     VENVPATH: "/root/venv/py3.6"
  98     PY_VER: "3.6.10"
  99
 100 gmxapi-0.2:clang-8:gmx2021:py-3.7.7:
 101   extends:
 102     - .gmxapi-0.2:clang-8:gmx2021
 103     - .rules:merge-requests
 104   variables:
 105     VENVPATH: "/root/venv/py3.7"
 106     PY_VER: "3.7.7"
 107
 108 gmxapi-0.2:clang-8:gmx2021:py-3.8.2:
 109   extends:
 110     - .gmxapi-0.2:clang-8:gmx2021
 111     - .rules:merge-requests
 112   variables:
 113     VENVPATH: "/root/venv/py3.8"
 114     PY_VER: "3.8.2"