CI #1227
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: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| schedule: | |
| - cron: "0 0 * * *" | |
| jobs: | |
| test: | |
| if: github.event.pull_request.draft == false | |
| name: mBuild Tests | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: ["3.9", "3.10", "3.11"] | |
| include: | |
| - os: windows-latest | |
| python-version: "3.11" | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| name: Checkout Branch / Pull Request | |
| - name: Install Mamba (Linux) | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: environment-dev.yml | |
| create-args: >- | |
| python=${{ 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: Tests for HOOMD-blue (V3) | |
| run: | | |
| micromamba install -c conda-forge "hoomd>3" | |
| python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes mbuild/tests/test_hoomd.py | |
| if: runner.os == 'Linux' | |
| - name: Upload Coverage Report | |
| uses: codecov/codecov-action@v2 | |
| with: | |
| name: mBuild-Coverage | |
| verbose: true | |
| files: ./coverage.xml | |
| 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@v3 | |
| name: Checkout Branch / Pull Request | |
| - name: Install Mamba | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: environment-dev.yml | |
| create-args: python=3.11 | |
| - 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@v5 | |
| with: | |
| push: true | |
| tags: ${{ env.DOCKER_TAGS }} |