Fix: Incorrect negative signs in length gague RT-TDDFT (#4871) #2001
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| name: Container | |
| on: | |
| push: | |
| branches: | |
| - develop | |
| tags: | |
| - 'v*' | |
| workflow_dispatch: | |
| jobs: | |
| build_container_and_push: | |
| runs-on: X64 | |
| if: github.repository_owner == 'deepmodeling' | |
| strategy: | |
| matrix: | |
| dockerfile: ["gnu","intel","cuda"] | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Docker meta | |
| id: meta | |
| uses: docker/metadata-action@v5 | |
| with: | |
| images: | | |
| ghcr.io/deepmodeling/abacus-${{ matrix.dockerfile }} | |
| dp-harbor-registry.us-east-1.cr.aliyuncs.com/deepmodeling/abacus-${{ matrix.dockerfile }} | |
| tags: | | |
| type=semver,pattern={{version}},enable=${{ github.ref_type == 'tag' }} | |
| type=raw,value=latest | |
| - name: Setup Docker Buildx | |
| uses: docker/setup-buildx-action@v3 | |
| - name: Login to GitHub Container Registry | |
| uses: docker/login-action@v3 | |
| with: | |
| registry: ghcr.io | |
| username: ${{ github.actor }} | |
| password: ${{ secrets.GITHUB_TOKEN }} | |
| - name: Login to Aliyun Registry | |
| uses: docker/login-action@v3 | |
| with: | |
| registry: dp-harbor-registry.us-east-1.cr.aliyuncs.com | |
| # AliCloud automatically mirrors to registry.dp.tech | |
| username: ${{ secrets.DP_HARBOR_USERNAME }} | |
| password: ${{ secrets.DP_HARBOR_PASSWORD }} | |
| - name: Build and Push Container | |
| uses: docker/build-push-action@v6 | |
| with: | |
| tags: ${{ steps.meta.outputs.tags }} | |
| labels: ${{ steps.meta.outputs.labels }} | |
| file: Dockerfile.${{ matrix.dockerfile }} | |
| push: true | |
| cache-from: type=registry,ref=ghcr.io/deepmodeling/abacus-${{ matrix.dockerfile }}:latest | |
| cache-to: type=inline |