Bump pymatgen from 2024.3.1 to 2024.6.10 #642
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| name: CI | |
| # Run on all PR's and on pushes/merges to deploy and master | |
| on: | |
| pull_request: | |
| branches: ['master', 'dev/*', '!paper.md'] | |
| push: | |
| branches: ['master', 'dev/*', '!paper.md'] | |
| tags: ["v*"] | |
| jobs: | |
| tests: | |
| name: Tests | |
| env: | |
| MP_API_KEY: ${{ secrets.MP_API_KEY }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest, macOS-latest] | |
| python-version: [3.9, '3.10', 3.11] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install testing dependencies | |
| run: | | |
| bash scripts/install.sh | |
| bash scripts/install.sh test | |
| - name: Run tests | |
| run: | | |
| pytest -v --cov --cov-report xml lightshow/_tests | |
| - name: Upload code coverage | |
| uses: codecov/codecov-action@v2 | |
| timeout-minutes: 10 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| fail_ci_if_error: false | |
| ruff: | |
| name: Run Ruff code quality check | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: chartboost/ruff-action@v1 | |
| with: | |
| src: './lightshow' | |
| flake8_py3: | |
| name: Run flake8 code quality check | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Python | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.9 | |
| - name: Install flake8 | |
| run: pip install flake8 | |
| - name: Run flake8 | |
| uses: suo/flake8-github-action@releases/v1 | |
| with: | |
| checkName: 'flake8_py3' # NOTE: this needs to be the same as the job name | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| docs: | |
| name: Build documentation test | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| ########################################################################### | |
| # Getting the tags like this is REQUIRED for the dynamic versioning | |
| # system to work properly | |
| - name: Get tags | |
| if: "! startsWith(github.ref, 'refs/tags')" | |
| run: git fetch --unshallow --tags | |
| ########################################################################### | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.9 | |
| - name: Install and build | |
| run: bash scripts/build_docs.sh | |
| build_and_publish: | |
| # This workflow follows the best practices outlined here: | |
| # https://github.com/marketplace/actions/pypi-publish | |
| # for deploying a project to PyPI via a GH action. It only runs on tags | |
| name: Upload release to PyPI | |
| if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') | |
| runs-on: ubuntu-latest | |
| environment: | |
| name: pypi | |
| url: https://pypi.org/project/lightshow/ | |
| permissions: | |
| id-token: write | |
| needs: | |
| - tests | |
| - ruff | |
| - flake8_py3 | |
| - docs | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.9 | |
| - name: Build and apply version | |
| run: bash scripts/build_project.sh | |
| - name: Publish package distributions to PyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| repository-url: https://upload.pypi.org/legacy/ | |
| build_and_publish_docs: | |
| name: Build and publish documentation via GitHub Pages | |
| environment: | |
| name: github-pages | |
| url: ${{ steps.deployment.outputs.page_url }} | |
| # Only allow tagged commits | |
| if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') | |
| needs: | |
| - tests | |
| - ruff | |
| - flake8_py3 | |
| - docs | |
| - build_and_publish | |
| # Sets permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages | |
| permissions: | |
| contents: read | |
| pages: write | |
| id-token: write | |
| # Allow one concurrent deployment | |
| concurrency: | |
| group: "pages" | |
| cancel-in-progress: true | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.9 | |
| - name: Build and apply version | |
| run: | | |
| bash scripts/build_docs.sh | |
| - name: Setup Pages | |
| uses: actions/configure-pages@v2 | |
| - name: Upload artifact | |
| uses: actions/upload-pages-artifact@v1 | |
| with: | |
| path: 'docs/build/html/' | |
| - name: Deploy to GitHub Pages | |
| id: deployment | |
| uses: actions/deploy-pages@v1 |