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