2 # Jobs to test gmxapi client (Python) packages
5 # Base job definition for gmxapi 0.1 tests against GROMACS 2020 in clang-8 environments.
11 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
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"
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 # Note that the XML output is concatenated when multiple reports are produced
25 # by a single job. If this presents problems, we may have to split the tests
26 # into multiple jobs. In particular, test names will appear once for MPI and
27 # once for non-MPI runs, which may confuse the test result parser.
32 - $PY_MPI_UNIT_TEST_XML
33 - $PY_ACCEPTANCE_TEST_XML
34 - $PY_MPI_ACCEPTANCE_TEST_XML
38 # The dependency means we need to use the same tag restriction as upstream.
40 - job: gromacs:clang-8:build
43 gmxapi-0.1:clang-8:py-3.5.9:
46 - .rules:merge-requests:release-2020
48 VENVPATH: "/root/venv/py3.5"
51 gmxapi-0.1:clang-8:py-3.6.10:
54 - .rules:merge-requests:release-2020
56 VENVPATH: "/root/venv/py3.6"
59 gmxapi-0.1:clang-8:py-3.7.7:
62 - .rules:merge-requests:release-2020
64 VENVPATH: "/root/venv/py3.7"
67 gmxapi-0.1:clang-8:py-3.8.2:
70 - .rules:merge-requests:release-2020
72 VENVPATH: "/root/venv/py3.8"
75 # Base job definition for gmxapi 0.2 tests against GROMACS 2021 in clang-8 environments.
76 .gmxapi-0.2:clang-8:gmx2021:
80 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
83 PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
84 PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
85 PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
86 PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
88 - source $INSTALL_DIR/bin/GMXRC
89 - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR bash admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
94 - $PY_MPI_UNIT_TEST_XML
95 - $PY_ACCEPTANCE_TEST_XML
96 - $PY_MPI_ACCEPTANCE_TEST_XML
100 # The dependency means we need to use the same tag restriction as upstream.
102 - job: gromacs:clang-8:build
105 gmxapi-0.2:clang-8:gmx2021:py-3.6.10:
107 - .gmxapi-0.2:clang-8:gmx2021
108 - .rules:merge-requests:master
110 VENVPATH: "/root/venv/py3.6"
113 gmxapi-0.2:clang-8:gmx2021:py-3.7.7:
115 - .gmxapi-0.2:clang-8:gmx2021
116 - .rules:merge-requests:master
118 VENVPATH: "/root/venv/py3.7"
121 gmxapi-0.2:clang-8:gmx2021:py-3.8.2:
123 - .gmxapi-0.2:clang-8:gmx2021
124 - .rules:merge-requests:master
126 VENVPATH: "/root/venv/py3.8"