feat(qe): add pseudopotential storage in MySQL #40
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| # Build and push all four chem Docker images to zot.hwcopeland.net/chem/. | |
| # | |
| # Runner: self-hosted runner labeled arc-chem running on the RKE2 cluster. | |
| # The runner pod runs inside the cluster LAN and therefore has direct network | |
| # access to zot.hwcopeland.net — this is the solution to the private registry | |
| # network boundary (GitHub cloud runners cannot reach zot.hwcopeland.net). | |
| # | |
| # Registry credentials are stored as GitHub Actions encrypted repository secrets: | |
| # ZOT_USERNAME — username for zot.hwcopeland.net (from Bitwarden 766ec5c7-...) | |
| # ZOT_PASSWORD — password for zot.hwcopeland.net (from Bitwarden 766ec5c7-...) | |
| # | |
| # Cache strategy: registry-based layer cache (type=registry) with mode=max. | |
| # type=gha (GitHub Actions cache) does not work from on-cluster runners. | |
| # | |
| # Image tag format: build-<NNNNNN>-<sha7> | |
| # Zero-padded run number prefix guarantees lexicographic == chronological order, | |
| # which is required for Flux ImagePolicy alphabetical selection to pick the newest | |
| # build. Pure sha-<sha7> tags fail because hex digits are not monotonic | |
| # (e.g. sha-e063a72 beats sha-2398b71 alphabetically even though it is older). | |
| # Additionally pushes :latest for backward compatibility. | |
| name: Build and Push Chem Images | |
| on: | |
| push: | |
| branches: | |
| - main | |
| paths: | |
| - 'rke2/chem/compute-infrastructure/k8s-jobs/controller/**' | |
| - 'rke2/chem/compute-infrastructure/k8s-jobs/result-writer/**' | |
| - 'rke2/chem/compute-infrastructure/docker/autodock-vina/**' | |
| - '.github/workflows/build-chem-images.yml' | |
| workflow_dispatch: | |
| jobs: | |
| build-and-push: | |
| name: Build ${{ matrix.name }} | |
| runs-on: [self-hosted, arc-chem] | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - name: docking-controller | |
| image: zot.hwcopeland.net/chem/docking-controller | |
| dockerfile: rke2/chem/compute-infrastructure/k8s-jobs/controller/Dockerfile | |
| # Build context MUST be k8s-jobs/ (not k8s-jobs/controller/) because | |
| # the Dockerfile uses: COPY controller/go.mod controller/go.sum ./ | |
| context: rke2/chem/compute-infrastructure/k8s-jobs/ | |
| - name: autodock-vina | |
| image: zot.hwcopeland.net/chem/autodock-vina | |
| dockerfile: rke2/chem/compute-infrastructure/docker/autodock-vina/Dockerfile | |
| context: rke2/chem/compute-infrastructure/docker/autodock-vina/ | |
| - name: result-writer | |
| image: zot.hwcopeland.net/chem/result-writer | |
| dockerfile: rke2/chem/compute-infrastructure/k8s-jobs/result-writer/Dockerfile | |
| context: rke2/chem/compute-infrastructure/k8s-jobs/result-writer/ | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4.2.2 | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@b5ca514318bd6ebac0fb2aedd5d36ec1b5c232a2 # v3.10.0 | |
| - name: Log in to Zot registry | |
| uses: docker/login-action@74a5d142397b4f367a81961eba4e8cd7edddf772 # v3.4.0 | |
| with: | |
| registry: zot.hwcopeland.net | |
| username: ${{ secrets.ZOT_USERNAME }} | |
| password: ${{ secrets.ZOT_PASSWORD }} | |
| - name: Compute image tags | |
| id: tags | |
| run: | | |
| SHORT_SHA="${GITHUB_SHA::7}" | |
| RUN_NUM=$(printf '%06d' "${{ github.run_number }}") | |
| BUILD_TAG="build-${RUN_NUM}-${SHORT_SHA}" | |
| echo "build_tag=${BUILD_TAG}" >> "$GITHUB_OUTPUT" | |
| echo "Building ${{ matrix.name }} with tag: ${BUILD_TAG}" | |
| - name: Build and push ${{ matrix.name }} | |
| uses: docker/build-push-action@14487ce63c7a62a4a324b0bfb37086795e31c6c1 # v6.16.0 | |
| with: | |
| context: ${{ matrix.context }} | |
| file: ${{ matrix.dockerfile }} | |
| platforms: linux/amd64 | |
| push: true | |
| tags: | | |
| ${{ matrix.image }}:${{ steps.tags.outputs.build_tag }} | |
| ${{ matrix.image }}:latest | |
| # Registry-based layer cache with mode=max caches all intermediate layers. | |
| # mode=max is required to cache multi-stage builder layers. | |
| cache-from: type=registry,ref=${{ matrix.image }}:cache | |
| cache-to: type=registry,ref=${{ matrix.image }}:cache,mode=max |