Customised docker image for running calculation out-of-box #1
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| --- | |
| name: Build, test and push Docker Images | |
| on: | |
| pull_request: | |
| paths-ignore: | |
| - "docs/**" | |
| - "tests/**" | |
| push: | |
| #branches: | |
| # - main | |
| #tags: | |
| # - "v*" | |
| paths-ignore: | |
| - "docs/**" | |
| - "tests/**" | |
| workflow_dispatch: | |
| # 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: | |
| amd64-build: | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash | |
| working-directory: .docker | |
| steps: | |
| - name: Checkout Repo ⚡️ | |
| uses: actions/checkout@v3 | |
| - name: Set Up Python 🐍 | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: 3.x | |
| - name: Install Dev Dependencies 📦 | |
| run: | | |
| pip install --upgrade pip | |
| pip install --upgrade -r requirements.txt | |
| - name: Build image | |
| run: docker buildx bake -f docker-bake.hcl --set *.platform=linux/amd64 --load | |
| env: | |
| # Full logs for CI build | |
| BUILDKIT_PROGRESS: plain | |
| - name: Run tests ✅ | |
| run: TAG=newly-baked python -m pytest -s tests | |
| - name: Docker meta 📝 | |
| id: meta | |
| uses: docker/metadata-action@v4 | |
| with: | |
| images: | | |
| name=ghcr.io/aiidateam/aiida-quantumespresso | |
| tags: | | |
| type=edge,enable={{is_default_branch}} | |
| type=sha,enable=${{ github.ref_type != 'tag' }} | |
| type=ref,event=pr | |
| type=match,pattern=v(\d+\.\d+.\d+),group=1 | |
| type=raw,value={{tag}},enable=${{ startsWith(github.ref, 'refs/tags/v') }} | |
| - name: Login to Container Registry 🔑 | |
| uses: docker/login-action@v2 | |
| with: | |
| registry: ghcr.io | |
| username: ${{ github.actor }} | |
| password: ${{ secrets.GITHUB_TOKEN }} | |
| - name: Set tags for image and push 🏷️📤💾 | |
| run: | | |
| declare -a arr=(${{ steps.meta.outputs.tags }}) | |
| for tag in "${arr[@]}"; do | |
| docker tag aiidateam/aiida-quantumespresso:newly-baked ${tag} | |
| docker push ${tag} | |
| done |