Update instructions in containers.rst
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2 # Jobs to test gmxapi client (Python) packages
5 .gmxapi-0.3:gcc-7:gmx2022:
6   extends:
7     - .variables:default
8     - .use-clang:base
9   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7
10   stage: test
11   variables:
12     KUBERNETES_CPU_LIMIT: 2
13     KUBERNETES_CPU_REQUEST: 2
14     KUBERNETES_MEMORY_LIMIT: 2Gi
15     KUBERNETES_MEMORY_REQUEST: 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   script:
21     - source $INSTALL_DIR/bin/GMXRC
22     - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-py-gmxapi-0.3.sh
23   artifacts:
24     reports:
25       junit:
26         - $PY_UNIT_TEST_XML
27         - $PY_MPI_UNIT_TEST_XML
28         - $PY_ACCEPTANCE_TEST_XML
29         - $PY_MPI_ACCEPTANCE_TEST_XML
30     when: always
31     expire_in: 1 week
32   tags:
33     - k8s-scilifelab
34   # The dependency means we need to use the same tag restriction as upstream.
35   needs:
36     - job: gromacs:gcc-7:build
37       artifacts: true
39 gmxapi-0.3:gcc-7:gmx2022:py-3.7.7:
40   extends:
41     - .gmxapi-0.3:gcc-7:gmx2022
42     - .rules:merge-requests:master
43   variables:
44     VENVPATH: "/root/venv/py3.7"
45     PY_VER: "3.7.7"
47 gmxapi-0.3:gcc-7:gmx2022:py-3.8.2:
48   extends:
49     - .gmxapi-0.3:gcc-7:gmx2022
50     - .rules:merge-requests:master
51   variables:
52     VENVPATH: "/root/venv/py3.8"
53     PY_VER: "3.8.2"