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Fix and update metadata.yaml template #313

Fix and update metadata.yaml template

Fix and update metadata.yaml template #313

Workflow file for this run

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}