Add Ruff to pre-commit hooks #1684
Workflow file for this run
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| name: CI | ||
| on: | ||
| push: | ||
| branches: | ||
| - "main" | ||
| pull_request: | ||
| branches: | ||
| - "main" | ||
| schedule: | ||
| - cron: "0 0 * * *" | ||
| jobs: | ||
| test: | ||
| if: github.event.pull_request.draft == false | ||
| name: mBuild Tests (python) | ||
| runs-on: ${{ matrix.os }} | ||
| strategy: | ||
| fail-fast: false | ||
| matrix: | ||
| os: [ubuntu-latest] | ||
| python-version: ["3.9", "3.10", "3.11", "3.12"] | ||
| include: | ||
| defaults: | ||
| run: | ||
| shell: bash -l {0} | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| name: Checkout Branch / Pull Request | ||
| - name: Install Mamba (Linux) | ||
| uses: mamba-org/setup-micromamba@v1 | ||
| with: | ||
| environment-file: environment-dev.yml | ||
| create-args: >- | ||
| python=${{ matrix.python-version }} | ||
| if: runner.os != 'Windows' | ||
| - name: Install Mamba (Windows) | ||
| uses: mamba-org/setup-micromamba@v1 | ||
| with: | ||
| environment-file: environment-dev-win.yml | ||
| create-args: >- | ||
| python=${{ matrix.python-version }} | ||
| if: runner.os == 'Windows' | ||
| - name: Install Package | ||
| run: python -m pip install -e . | ||
| - name: Test (OS -> ${{ matrix.os }} / Python -> ${{ matrix.python-version }}) | ||
| run: python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs mbuild | ||
| - name: Upload Coverage Report | ||
| uses: codecov/codecov-action@v4 | ||
| with: | ||
| name: mBuild-Coverage | ||
| verbose: true | ||
| files: ./coverage.xml | ||
| arch-test: | ||
| if: github.event.pull_request.draft == false | ||
| name: mBuild Tests (arch) | ||
| runs-on: ${{ matrix.os }} | ||
| strategy: | ||
| fail-fast: false | ||
| matrix: | ||
| os: [macOS-latest, macOS-13, ubuntu-latest, windows-latest] | ||
| python-version: ["3.12"] | ||
| defaults: | ||
| run: | ||
| shell: bash -l {0} | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| name: Checkout Branch / Pull Request | ||
| - name: Install Mamba (Linux) | ||
| uses: mamba-org/setup-micromamba@v1 | ||
| with: | ||
| environment-file: environment-dev.yml | ||
| create-args: >- | ||
| python=${{ matrix.python-version }} | ||
| if: runner.os != 'Windows' | ||
| - name: Install Mamba (Windows) | ||
| uses: mamba-org/setup-micromamba@v1 | ||
| with: | ||
| environment-file: environment-dev-win.yml | ||
| create-args: >- | ||
| python=${{ matrix.python-version }} | ||
| if: runner.os == 'Windows' | ||
| - name: Install Package | ||
| run: python -m pip install -e . | ||
| - name: Test (OS -> ${{ matrix.os }} / Python -> ${{ matrix.python-version }}) | ||
| run: python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs mbuild | ||
| bleeding-edge-test: | ||
| if: github.event.pull_request.draft == false | ||
| name: Bleeding Edge mosdef Tests for mBuild | ||
| runs-on: ubuntu-latest | ||
| defaults: | ||
| run: | ||
| shell: bash -l {0} | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| name: Checkout Branch / Pull Request | ||
| - name: Install Mamba | ||
| uses: mamba-org/setup-micromamba@v1 | ||
| with: | ||
| environment-file: environment-dev.yml | ||
| create-args: python=3.12 | ||
| - name: Clone Foyer and GMSO | ||
| run: | | ||
| git clone https://github.com/mosdef-hub/foyer.git | ||
| git clone https://github.com/mosdef-hub/gmso.git | ||
| - name: Update Environment with foyer/gmso Dependencies | ||
| run: | | ||
| micromamba update --name mbuild-dev --file foyer/environment.yml | ||
| micromamba update --name mbuild-dev --file gmso/environment.yml | ||
| - name: Install Packages from Source | ||
| run: | | ||
| pip install -e foyer | ||
| pip install -e gmso | ||
| pip install -e . | ||
| - name: Run Bleeding Edge Tests | ||
| run: | | ||
| python -m pytest -v --color yes --pyargs mbuild | ||
| docker: | ||
| runs-on: ubuntu-latest | ||
| needs: test | ||
| name: Build Docker Image | ||
| if: github.event_name != 'pull_request' | ||
| steps: | ||
| - name: Set up Docker Buildx | ||
| uses: docker/setup-buildx-action@v3 | ||
| - name: Login to DockerHub | ||
| uses: docker/login-action@v3 | ||
| with: | ||
| username: ${{ secrets.DOCKERHUB_USERNAME }} | ||
| password: ${{ secrets.DOCKERHUB_PASSWORD }} | ||
| - name: Get Tagged Version | ||
| run: | | ||
| echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:stable" >> $GITHUB_ENV | ||
| if: github.ref_type == 'tag' | ||
| - name: Get Push Version | ||
| run: | | ||
| echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:latest" >> $GITHUB_ENV | ||
| if: github.ref_type == 'branch' | ||
| - name: Docker Image Info | ||
| run: | | ||
| echo Docker Image tags: ${DOCKER_TAGS} | ||
| - name: Build and Push | ||
| uses: docker/build-push-action@v6 | ||
| with: | ||
| push: true | ||
| tags: ${{ env.DOCKER_TAGS }} | ||
