Add Bussi thermostat #1267
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: ci | |
| on: [push, pull_request] | |
| jobs: | |
| tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ['3.9','3.10','3.11','3.12'] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v4 | |
| with: | |
| version: "0.5.7" | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: uv sync --all-extras | |
| - name: Run test suite | |
| env: | |
| # show timings of tests | |
| PYTEST_ADDOPTS: "--durations=0" | |
| run: uv run pytest --run-extra-mlips --cov janus_core --cov-append . | |
| - name: Report coverage to Coveralls | |
| uses: coverallsapp/github-action@v2 | |
| with: | |
| parallel: true | |
| flag-name: run-${{ matrix.python-version }} | |
| file: coverage.xml | |
| base-path: janus_core | |
| coverage: | |
| needs: tests | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Close parallel build | |
| uses: coverallsapp/github-action@v2 | |
| with: | |
| parallel-finished: true | |
| docs: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Check all sources documented | |
| run: | | |
| diff -y --suppress-common-lines \ | |
| <(git ls-files janus_core/** | sed '/.py$/!d; s/\/__init__.py//; s#/#.#g; s/.py$//' | sort) \ | |
| <(sed -nr '/automodule/{s/.*::\s*//;p}' docs/source/apidoc/* | sort) | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v4 | |
| with: | |
| version: "0.5.7" | |
| python-version: "3.12" | |
| - name: Install dependencies | |
| run: uv sync | |
| - name: Build docs | |
| run: cd docs && uv run make html | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v4 | |
| with: | |
| version: "0.5.7" | |
| python-version: "3.12" | |
| - name: Install dependencies | |
| run: uv sync | |
| - name: Run pre-commit | |
| run: | | |
| uv run pre-commit install | |
| uv run pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) |