upgrade qe-plugin , include nbands_factor to PdosWorkChain #637
Workflow file for this run
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| --- | |
| name: Build Docker image | |
| on: | |
| pull_request: | |
| push: | |
| branches: | |
| - main | |
| tags: | |
| - v* | |
| workflow_dispatch: | |
| env: | |
| FORCE_COLOR: 1 | |
| IMAGE: ghcr.io/aiidalab/qe | |
| BUILDKIT_PROGRESS: plain | |
| # https://docs.github.com/en/actions/using-jobs/using-concurrency | |
| concurrency: | |
| # only cancel in-progress jobs or runs for the current workflow - matches against branch & tags | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| jobs: | |
| build-test-upload: | |
| runs-on: ubuntu-latest | |
| continue-on-error: true | |
| steps: | |
| - name: Checkout Repo ⚡️ | |
| uses: actions/checkout@v4 | |
| - name: Login to Container Registry 🔑 | |
| uses: docker/login-action@v2 | |
| if: ${{ !github.event.pull_request.head.repo.fork }} | |
| with: | |
| registry: ghcr.io | |
| username: ${{ github.actor }} | |
| password: ${{ secrets.GITHUB_TOKEN }} | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v3 | |
| - name: Docker meta 📝 | |
| id: meta | |
| uses: docker/metadata-action@v5 | |
| with: | |
| images: | | |
| name=${{ env.IMAGE }} | |
| tags: | | |
| type=ref,event=pr | |
| type=edge,enable={{is_default_branch}} | |
| type=raw,value={{tag}},enable=${{ startsWith(github.ref, 'refs/tags/v') }} | |
| - name: Build and push image | |
| id: build-upload | |
| uses: docker/build-push-action@v5 | |
| with: | |
| tags: ${{ steps.meta.outputs.tags }} | |
| load: ${{ github.event_name == 'pull_request' && github.event.pull_request.head.repo.fork }} | |
| push: ${{ ! (github.event_name == 'pull_request' && github.event.pull_request.head.repo.fork) }} | |
| context: . | |
| platforms: linux/amd64 | |
| cache-to: | | |
| type=gha,scope=${{ github.workflow }},mode=min | |
| cache-from: | | |
| type=gha,scope=${{ github.workflow }} | |
| - name: Set Up Python 🐍 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: 3.11 | |
| - name: Install Dev Dependencies 📦 | |
| run: pip install -r requirements-docker.txt | |
| - name: Set jupyter token env | |
| run: echo "JUPYTER_TOKEN=$(openssl rand -hex 32)" >> $GITHUB_ENV | |
| - name: Run pytest for Chrome | |
| run: pytest -sv --driver Chrome tests_integration/ | |
| env: | |
| # We'd like to identify the image by its unique digest, i.e ghcr.io/aiidalab/qe@sha256:<digest> | |
| # but that sadly does not work when the image is loaded to Docker locally and not published on ghcr.io | |
| # as is the case for PRs from forks. Hence this super-ugly ternary expression... | |
| # For forks, we take the image as ghcr.io/aiidalab/qe:pr-XXX | |
| # which is stored in the steps.meta.outputs.tags variable | |
| QE_IMAGE: >- | |
| ${{ | |
| github.event_name == 'pull_request' && | |
| github.event.pull_request.head.repo.fork && | |
| steps.meta.outputs.tags || | |
| format('{0}@{1}', env.IMAGE, steps.build-upload.outputs.imageid) | |
| }} | |
| - name: Upload screenshots as artifacts | |
| if: always() | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: Screenshots | |
| path: screenshots/ | |
| if-no-files-found: error |