Base classes for potentials and application layer. #476
Workflow file for this run
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| name: CI | |
| on: | |
| # GitHub has started calling new repo's first branch "main" https://github.com/github/renaming | |
| # Existing codes likely still have "master" as the primary branch | |
| # Both are tracked here to keep legacy and new codes working | |
| push: | |
| branches: | |
| - "master" | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "master" | |
| - "main" | |
| schedule: | |
| # Nightly tests run on master 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 * * *" | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| timeout-minutes: 60 | |
| runs-on: ${{ matrix.os }} | |
| continue-on-error: ${{ matrix.allow-failure }} | |
| strategy: | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: [3.9, "3.10", "3.11"] | |
| allow-failure: [false] | |
| #include: | |
| #- os: windows-latest | |
| # python-version: [3.9, "3.10", "3.11"] | |
| # allow-failure: true | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| # More info on options: https://github.com/marketplace/actions/provision-with-micromamba | |
| - uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| environment-name: test | |
| channels: conda-forge,defaults | |
| extra-specs: | | |
| python=${{ matrix.python-version }} | |
| - name: Install package | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install -e . --no-deps | |
| micromamba list | |
| - name: Run tests | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --cov=tfep --cov-report=xml --color=yes --durations=50 tfep/tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | |
| - name: Run doctests | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --doctest-modules --ignore=tfep/tests/ |