Update requirements.txt to include pandoc #74
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| name: CI | |
| on: | |
| workflow_dispatch: | |
| branches: | |
| - "debug_docs" | |
| push: | |
| branches: | |
| - "main" | |
| - "debug_docs" | |
| pull_request: | |
| branches: | |
| - "main" | |
| schedule: | |
| # Weekly tests run on main by default: | |
| # Scheduled workflows run on the latest commit on the default or base branch. | |
| # (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
| - cron: "0 0 * * 0" | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest, windows-latest] | |
| python-version: ["3.10", "3.11", "3.12"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| # More info on options: https://github.com/marketplace/actions/provision-with-micromamba | |
| - uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: requirements.yaml | |
| environment-name: generate_alchemical_lammps_inputs | |
| init-shell: bash | |
| cache-environment: true | |
| post-cleanup: 'all' | |
| condarc: | | |
| channels: | |
| - conda-forge | |
| - defaults | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| pytest | |
| pytest-cov | |
| codecov | |
| - name: Install package | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install . --no-deps | |
| micromamba list | |
| - name: Run tests | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --cov=generate_alchemical_lammps_inputs --cov-report=xml --color=yes src/tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | |
| docs: | |
| name: Build docs on ubuntu-latest | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: usnistgov/Docs4NIST@0.7 | |
| with: | |
| docs-folder: docs/ | |
| pip-requirements: docs/requirements.txt | |
| formats: |- | |
| epub | |
| html |