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         - $PY_MPI_ACCEPTANCE_TEST_XML
  28     when: always
  29     expire_in: 1 week
  30   needs:
  31     - job: gromacs:clang-8:build
  32       artifacts: true
  33
  34 gmxapi-0.1:clang-8:py-3.5.9:
  35   extends:
  36     - .gmxapi-0.1:clang-8
  37   rules:
  38     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  39       when: never
  40     # Allow explicit trigger through web interface.
  41     - if: '$GMX_GMXAPI_0_1'
  42       when: always
  43     - if: '$GROMACS_RELEASE'
  44       when: never
  45     # Run this job for release-2020 branch and merge-requests targeting it.
  46     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "release-2020" || $CI_COMMIT_BRANCH == "release-2020"'
  47       when: always
  48   variables:
  49     VENVPATH: "/root/venv/py3.5"
  50     PY_VER: "3.5.9"
  51
  52 gmxapi-0.1:clang-8:py-3.6.10:
  53   extends:
  54     - .gmxapi-0.1:clang-8
  55   rules:
  56     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  57       when: never
  58     # Allow explicit trigger through web interface.
  59     - if: '$GMX_GMXAPI_0_1'
  60       when: always
  61     - if: '$GROMACS_RELEASE'
  62       when: never
  63     # Run this job for release-2020 branch and merge-requests targeting it.
  64     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "release-2020" || $CI_COMMIT_BRANCH == "release-2020"'
  65       when: always
  66   variables:
  67     VENVPATH: "/root/venv/py3.6"
  68     PY_VER: "3.6.10"
  69
  70 gmxapi-0.1:clang-8:py-3.7.7:
  71   extends:
  72     - .gmxapi-0.1:clang-8
  73   rules:
  74     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  75       when: never
  76     # Allow explicit trigger through web interface.
  77     - if: '$GMX_GMXAPI_0_1'
  78       when: always
  79     - if: '$GROMACS_RELEASE'
  80       when: never
  81     # Run this job for release-2020 branch and merge-requests targeting it.
  82     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "release-2020" || $CI_COMMIT_BRANCH == "release-2020"'
  83       when: always
  84   variables:
  85     VENVPATH: "/root/venv/py3.7"
  86     PY_VER: "3.7.7"
  87
  88 gmxapi-0.1:clang-8:py-3.8.2:
  89   extends:
  90     - .gmxapi-0.1:clang-8
  91   rules:
  92     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
  93       when: never
  94     # Allow explicit trigger through web interface.
  95     - if: '$GMX_GMXAPI_0_1'
  96       when: always
  97     - if: '$GROMACS_RELEASE'
  98       when: never
  99     # Run this job for release-2020 branch and merge-requests targeting it.
 100     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "release-2020" || $CI_COMMIT_BRANCH == "release-2020"'
 101       when: always
 102   variables:
 103     VENVPATH: "/root/venv/py3.8"
 104     PY_VER: "3.8.2"
 105
 106 # Base job definition for gmxapi 0.2 tests against GROMACS 2021 in clang-8 environments.
 107 .gmxapi-0.2:clang-8:gmx2021:
 108   extends:
 109     - .variables:default
 110     - .use-clang:base
 111   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
 112   rules:
 113     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
 114       when: never
 115     # Allow explicit trigger through web interface.
 116     - if: '$GMX_GMXAPI_0_2'
 117       when: always
 118     - if: '$GROMACS_RELEASE'
 119       when: never
 120     # Run this job for master branch and merge-requests targeting it.
 121     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
 122       when: always
 123   stage: test
 124   variables:
 125     PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
 126     PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
 127     PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
 128     PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
 129   script:
 130     - source $INSTALL_DIR/bin/GMXRC
 131     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash -x admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
 132   artifacts:
 133     reports:
 134       junit:
 135         - $PY_UNIT_TEST_XML
 136         - $PY_MPI_UNIT_TEST_XML
 137         - $PY_ACCEPTANCE_TEST_XML
 138         - $PY_MPI_ACCEPTANCE_TEST_XML
 139     when: always
 140     expire_in: 1 week
 141   needs:
 142     - job: gromacs:clang-8:build
 143       artifacts: true
 144
 145 gmxapi-0.2:clang-8:gmx2021:py-3.6.10:
 146   extends:
 147     - .gmxapi-0.2:clang-8:gmx2021
 148   rules:
 149     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
 150       when: never
 151     # Allow explicit trigger through web interface.
 152     - if: '$GMX_GMXAPI_0_2'
 153       when: always
 154     - if: '$GROMACS_RELEASE'
 155       when: never
 156     # Run this job for master branch and merge-requests targeting it.
 157     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
 158       when: always
 159   variables:
 160     VENVPATH: "/root/venv/py3.6"
 161     PY_VER: "3.6.10"
 162
 163 gmxapi-0.2:clang-8:gmx2021:py-3.7.7:
 164   extends:
 165     - .gmxapi-0.2:clang-8:gmx2021
 166   rules:
 167     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
 168       when: never
 169     # Allow explicit trigger through web interface.
 170     - if: '$GMX_GMXAPI_0_2'
 171       when: always
 172     - if: '$GROMACS_RELEASE'
 173       when: never
 174     # Run this job for master branch and merge-requests targeting it.
 175     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
 176       when: always
 177   variables:
 178     VENVPATH: "/root/venv/py3.7"
 179     PY_VER: "3.7.7"
 180
 181 gmxapi-0.2:clang-8:gmx2021:py-3.8.2:
 182   extends:
 183     - .gmxapi-0.2:clang-8:gmx2021
 184   rules:
 185     - if: '$CI_PROJECT_NAMESPACE != "gromacs"'
 186       when: never
 187     # Allow explicit trigger through web interface.
 188     - if: '$GMX_GMXAPI_0_2'
 189       when: always
 190     - if: '$GROMACS_RELEASE'
 191       when: never
 192     # Run this job for master branch and merge-requests targeting it.
 193     - if: '$CI_MERGE_REQUEST_TARGET_BRANCH_NAME == "master" || $CI_COMMIT_BRANCH == "master"'
 194       when: always
 195   variables:
 196     VENVPATH: "/root/venv/py3.8"
 197     PY_VER: "3.8.2"