Separate environments for each talktorial #1414
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - "master" | |
| pull_request: | |
| branches: | |
| - "master" | |
| - "dev" | |
| schedule: | |
| # every two weeks on Monday at 3 am | |
| - cron: "0 3/336 * * 1" | |
| jobs: | |
| test: | |
| name: Pytest | |
| runs-on: ${{ matrix.cfg.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| directory: | |
| - T002_compound_adme | |
| #- T003_compound_unwanted_structures | |
| cfg: | |
| - os: ubuntu-latest | |
| #- os: macos-latest | |
| #- os: windows-latest | |
| env: | |
| PYVER: ${{ matrix.cfg.python-version }} | |
| PACKAGE: teachopencadd | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Set up Miniconda | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| use-mamba: true | |
| auto-activate-base: true | |
| - name: Cache Conda packages | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/.conda/pkgs | |
| key: ${{ runner.os }}-conda-${{ hashFiles('**/environment.yml') }} | |
| restore-keys: | | |
| ${{ runner.os }}-conda- | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: | | |
| ls | |
| pwd | |
| ls teachopencadd | |
| ls teachopencadd/talktorials | |
| - name: Install Conda environment | |
| run: | | |
| echo `pwd` | |
| mamba env create -f environment.yml -n ${{ matrix.directory }} | |
| working-directory: teachopencadd/talktorials/${{ matrix.directory }} | |
| - name: Activate Conda environment | |
| run: conda activate ${{ matrix.directory }} | |
| - name: Install pytest | |
| run: mamba install pytest -c conda-forge -y | |
| - name: Run tests | |
| shell: bash -l {0} | |
| run: | | |
| PYTEST_ARGS="--nbval-lax --current-env --dist loadscope" | |
| pytest $PYTEST_ARGS teachopencadd/talktorials/ $IGNORE | |
| working-directory: teachopencadd/talktorials/${{ matrix.directory }} | |
| format: | |
| name: Black | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v3 | |
| - name: Install format dependencies | |
| run: python -m pip install black-nb shyaml | |
| - name: Run black-nb | |
| run: | | |
| black-nb -l 99 --check teachopencadd/talktorials/T*/talktorial.ipynb | |
| readmes: | |
| name: READMEs | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v3 | |
| - name: Install nbformat | |
| run: python -m pip install nbformat shyaml | |
| - name: Check READMEs are up-to-date | |
| run: | | |
| for path in teachopencadd/talktorials/T*/talktorial.ipynb; do | |
| python devtools/regenerate_readmes.py --output README.md $path | |
| done | |
| # If the script above introduced changes (it shouldn't!), git diff will have output and an error code | |
| git diff --exit-code |