Fix and update Dockerfile #1815
Workflow file for this run
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| schedule: | |
| - cron: "0 0 * * *" | |
| issue_comment: | |
| types: ["created"] | |
| jobs: | |
| test: | |
| if: github.event.pull_request.draft == false && github.event_name != 'issue_comment' | |
| name: mBuild Tests (python) | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: ["3.9", "3.10", "3.11", "3.12"] | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| name: Checkout Branch / Pull Request | |
| - name: Install Mamba (Linux) | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: environment-dev.yml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| if: runner.os != 'Windows' | |
| - name: Install Mamba (Windows) | |
| uses: mamba-org/setup-micromamba@v2 | |
| 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@v5 | |
| with: | |
| name: mBuild-Coverage | |
| verbose: true | |
| files: ./coverage.xml | |
| arch-test: | |
| if: github.event.pull_request.draft == false && github.event_name != 'issue_comment' | |
| name: mBuild Tests (arch) | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, macOS-13, ubuntu-latest, windows-latest] | |
| python-version: ["3.12"] | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| name: Checkout Branch / Pull Request | |
| - name: Install Mamba (Linux) | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: environment-dev.yml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| if: runner.os != 'Windows' | |
| - name: Install Mamba (Windows) | |
| uses: mamba-org/setup-micromamba@v2 | |
| 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 -> ${{ matrix.python-version }}) | |
| run: python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs mbuild | |
| bleeding-edge-test: | |
| if: github.event.pull_request.draft == false && github.event_name != 'issue_comment' | |
| name: Bleeding Edge mosdef Tests for mBuild | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| name: Checkout Branch / Pull Request | |
| - name: Install Mamba | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: environment-dev.yml | |
| create-args: python=3.12 | |
| - name: Install Packages from Source | |
| run: | | |
| pip install -e . | |
| - name: Run Bleeding Edge Tests | |
| run: | | |
| python -m pytest -v --color yes --pyargs mbuild | |
| docker_build_on_comment: | |
| runs-on: ubuntu-latest | |
| if: github.event.pull_request.draft == false && github.event_name == 'issue_comment' && contains(github.event.comment.body, '\dockerbuild') | |
| name: Build Docker Image (no push) | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v3 | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v3 | |
| - name: Set DOCKER_TAGS | |
| run: | | |
| echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:latest" >> $GITHUB_ENV | |
| - name: Docker Image Info | |
| run: | | |
| echo Docker Image tags: ${DOCKER_TAGS} | |
| - name: Build Docker Image | |
| uses: docker/build-push-action@v6 | |
| with: | |
| push: false | |
| tags: ${{ env.DOCKER_TAGS }} | |
| - name: Add Rocket Reaction 🚀 | |
| if: always() # Run this step even if the build fails | |
| run: | | |
| COMMENT_ID=${{ github.event.comment.id }} | |
| curl -s -X POST -H "Authorization: Bearer ${{ secrets.GITHUB_TOKEN }}" \ | |
| -H "Accept: application/vnd.github+json" \ | |
| https://api.github.com/repos/${{ github.repository }}/issues/comments/$COMMENT_ID/reactions \ | |
| -d '{"content": "rocket"}' | |
| docker: | |
| runs-on: ubuntu-latest | |
| needs: test | |
| name: Build Docker Image | |
| if: github.event_name != 'pull_request' && github.event_name != 'issue_comment' | |
| 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 }} |