#
# Jobs to test gmxapi client (Python) packages
#

# Base job definition for gmxapi 0.1 tests against GROMACS 2020 in clang-8 environments.
.gmxapi-0.1:clang-8:
  extends:
    - .variables:default
    - .use-clang:base
  stage: test
  image: ${CI_REGISTRY}/gromacs/gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
  variables:
    KUBERNETES_CPU_LIMIT: 2
    KUBERNETES_CPU_REQUEST: 2
    KUBERNETES_MEMORY_LIMIT: 2Gi
    KUBERNETES_MEMORY_REQUEST: 2Gi
    PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
    PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
    PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
    PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
    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"
  script:
    - source $INSTALL_DIR/bin/GMXRC
    - 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
  # Note that the XML output is concatenated when multiple reports are produced
  # by a single job. If this presents problems, we may have to split the tests
  # into multiple jobs. In particular, test names will appear once for MPI and
  # once for non-MPI runs, which may confuse the test result parser.
  artifacts:
    reports:
      junit:
        - $PY_UNIT_TEST_XML
        - $PY_MPI_UNIT_TEST_XML
        - $PY_ACCEPTANCE_TEST_XML
        - $PY_MPI_ACCEPTANCE_TEST_XML
    when: always
    expire_in: 1 week
  tags:
    - k8s-scilifelab
  # The dependency means we need to use the same tag restriction as upstream.
  needs:
    - job: gromacs:clang-8:build
      artifacts: true

gmxapi-0.1:clang-8:py-3.5.9:
  extends:
    - .gmxapi-0.1:clang-8
    - .rules:merge-requests:release-2020
  variables:
    VENVPATH: "/root/venv/py3.5"
    PY_VER: "3.5.9"

gmxapi-0.1:clang-8:py-3.6.10:
  extends:
    - .gmxapi-0.1:clang-8
    - .rules:merge-requests:release-2020
  variables:
    VENVPATH: "/root/venv/py3.6"
    PY_VER: "3.6.10"

gmxapi-0.1:clang-8:py-3.7.7:
  extends:
    - .gmxapi-0.1:clang-8
    - .rules:merge-requests:release-2020
  variables:
    VENVPATH: "/root/venv/py3.7"
    PY_VER: "3.7.7"

gmxapi-0.1:clang-8:py-3.8.2:
  extends:
    - .gmxapi-0.1:clang-8
    - .rules:merge-requests:release-2020
  variables:
    VENVPATH: "/root/venv/py3.8"
    PY_VER: "3.8.2"

.gmxapi-0.2:gcc-11:gmx2021:
  extends:
    - .variables:default
    - .use-clang:base
  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-11
  stage: test
  variables:
    KUBERNETES_CPU_LIMIT: 2
    KUBERNETES_CPU_REQUEST: 2
    KUBERNETES_MEMORY_LIMIT: 2Gi
    KUBERNETES_MEMORY_REQUEST: 2Gi
    PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
    PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
    PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
    PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
  script:
    - source $INSTALL_DIR/bin/GMXRC
    - 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
  artifacts:
    reports:
      junit:
        - $PY_UNIT_TEST_XML
        - $PY_MPI_UNIT_TEST_XML
        - $PY_ACCEPTANCE_TEST_XML
        - $PY_MPI_ACCEPTANCE_TEST_XML
    when: always
    expire_in: 1 week
  tags:
    - k8s-scilifelab
  # The dependency means we need to use the same tag restriction as upstream.
  needs:
    - job: gromacs:gcc-11:build
      artifacts: true

gmxapi-0.2:gcc-11:gmx2021:py-3.6.10:
  extends:
    - .gmxapi-0.2:gcc-11:gmx2021
    - .rules:merge-requests:release-2021
  variables:
    VENVPATH: "/root/venv/py3.6"
    PY_VER: "3.6.10"

gmxapi-0.2:gcc-11:gmx2021:py-3.7.7:
  extends:
    - .gmxapi-0.2:gcc-11:gmx2021
    - .rules:merge-requests:release-2021
  variables:
    VENVPATH: "/root/venv/py3.7"
    PY_VER: "3.7.7"

gmxapi-0.2:gcc-11:gmx2021:py-3.8.2:
  extends:
    - .gmxapi-0.2:gcc-11:gmx2021
    - .rules:merge-requests:release-2021
  variables:
    VENVPATH: "/root/venv/py3.8"
    PY_VER: "3.8.2"

gmxapi-0.2:gcc-11:gmx2021:py-3.9.1:
  extends:
    - .gmxapi-0.2:gcc-11:gmx2021
    - .rules:merge-requests:release-2021
  variables:
    VENVPATH: "/root/venv/py3.9"
    PY_VER: "3.9.1"