update makingakit.rst #311
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name: GH Actions CI | |
on: | |
pull_request: | |
branches: | |
- main | |
# concurrency: | |
# Commits to develop/master will cancel each other, but PRs will only cancel | |
# commits within the same PR | |
# group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}" | |
# cancel-in-progress: true | |
defaults: | |
run: | |
shell: bash -l {0} | |
jobs: | |
gen_matrix: | |
runs-on: ubuntu-22.04 | |
outputs: | |
matrix: ${{ steps.get-changed-mdakits.outputs.matrix }} | |
steps: | |
- uses: actions/checkout@v4 | |
- id: get-python | |
uses: actions/setup-python@v4 | |
with: | |
python-version: 3.9 | |
- id: files | |
name: get changed filed | |
uses: masesgroup/retrieve-changed-files@v3 | |
with: | |
format: 'json' | |
- id: get-changed-mdakits | |
name: build mdakit matrix | |
run: | | |
echo ${{ steps.files.outputs.all }} | |
mdakit=$(python utils/get_affected_mdakits.py --json '${{ steps.files.outputs.all }}') | |
echo ${mdakit} | |
echo "matrix=${mdakit}" >> $GITHUB_OUTPUT | |
env_config: | |
runs-on: ubuntu-latest | |
outputs: | |
python-stable: ${{ steps.get-compatible-python.outputs.stable-python }} | |
python-min: ${{ steps.get-compatible-python.outputs.oldest-pythons }} | |
steps: | |
- uses: actions/setup-python@v4 | |
with: | |
python-version: "3.12" | |
- id: get-compatible-python | |
uses: MDAnalysis/mdanalysis-compatible-python@main | |
with: | |
release: "develop" | |
mdakit-ci: | |
needs: [gen_matrix, env_config] | |
runs-on: ubuntu-22.04 | |
strategy: | |
fail-fast: false | |
matrix: | |
mdakit: ${{fromJSON(needs.gen_matrix.outputs.matrix)}} | |
jobstep: ['latest', 'develop'] | |
steps: | |
- uses: actions/checkout@v4 | |
- id: get-base-python-deps | |
name: get-base-python-deps | |
run: | | |
pip install requests setuptools packaging pyyaml pydantic PyGithub | |
- id: check-set-python-bounds | |
name: check-set-python-bounds | |
continue-on-error: false | |
run: | | |
maxpy=${{needs.env_config.outputs.python-stable}} | |
minpy=${{needs.env_config.outputs.python-min}} | |
pyver=$(python utils/check_python_ver.py --mdakit "${{matrix.mdakit}}" --maxpyver ${maxpy} --minpyver ${minpy}) | |
echo "PYVER=${pyver}" >> $GITHUB_ENV | |
- id: install-conda-env | |
name: install-conda-env | |
uses: conda-incubator/setup-miniconda@v2 | |
with: | |
python-version: ${{ env.PYVER }} | |
add-pip-as-python-dependency: true | |
architecture: x64 | |
use-mamba: true | |
miniforge-variant: Mambaforge | |
channels: conda-forge, defaults | |
channel-priority: flexible | |
auto-update-conda: true | |
show-channel-urls: true | |
- id: install-conda-base-deps | |
name: install-conda-base-deps | |
run: | | |
mamba install requests setuptools packaging pyyaml pydantic | |
pip install PyGithub | |
- id: install-mdakit | |
name: install-mdakit | |
continue-on-error: false | |
run: | | |
if [[ ${{ matrix.jobstep }} == "develop" ]]; then | |
type="src" | |
else | |
type="install" | |
fi | |
install=$(python utils/get_install.py --itype ${type} --mdakit ${{matrix.mdakit}}) | |
echo "install=${install}" | |
eval ${install} | |
- id: install-test-deps | |
name: install-test-deps | |
continue-on-error: false | |
run: | | |
install=$(python utils/get_testdeps.py --mdakit ${{matrix.mdakit}}) | |
echo "install tests:${install}" | |
eval ${install} | |
- id: install-mdanalysis | |
name: install-mdanalysis | |
uses: MDAnalysis/install-mdanalysis@main | |
continue-on-error: false | |
with: | |
version: ${{ matrix.jobstep }} | |
install-tests: true | |
installer: mamba | |
shell: bash -l {0} | |
- id: run-tests | |
name: run-tests | |
continue-on-error: false | |
run: | | |
tests=$(python utils/get_runtests.py --mdakit ${{matrix.mdakit}} --runtype ${{matrix.jobstep}}) | |
echo "tests: ${tests}" | |
eval ${tests} |