Improve small molecule dictionary file readers (#40) #15
Workflow file for this run
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| # This workflow will upload a Python Package using Twine when a release is created | |
| # For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python#publishing-to-package-registries | |
| # This workflow uses actions that are not certified by GitHub. | |
| # They are provided by a third-party and are governed by | |
| # separate terms of service, privacy policy, and support | |
| # documentation. | |
| name: Upload Python Package | |
| on: | |
| push: | |
| tags: | |
| - "*" | |
| permissions: | |
| contents: read | |
| jobs: | |
| deploy: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: "3.10" | |
| - name: Install poetry | |
| uses: abatilo/actions-poetry@v2 | |
| - name: Define a cache for the virtual environment based on the dependencies lock file | |
| uses: actions/cache@v3 | |
| with: | |
| path: ./.venv | |
| key: venv-${{ hashFiles('poetry.lock') }} | |
| - name: Install the package with doc dependencies | |
| run: poetry install --without docs,tests | |
| - name: Build package | |
| run: poetry build | |
| - name: Publish package | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| user: ${{ secrets.PYPI_USERNAME }} | |
| password: ${{ secrets.PYPI_PASSWORD }} | |
| - name: Set up QEMU | |
| uses: docker/setup-qemu-action@v3 | |
| - name: Set up Docker Buildx | |
| uses: docker/setup-buildx-action@v3 | |
| - name: Login to DockerHub | |
| uses: docker/login-action@v3 | |
| with: | |
| username: ${{ secrets.DOCKER_USERNAME }} | |
| password: ${{ secrets.DOCKER_PASSWORD }} | |
| - name: Extract Docker tag from GitHub ref | |
| run: echo "DOCKER_TAG=${GITHUB_REF_NAME#v}" >> $GITHUB_ENV | |
| - name: Build and push | |
| uses: docker/build-push-action@v6 | |
| with: | |
| push: true | |
| platforms: linux/amd64,linux/arm64/v8 | |
| tags: | | |
| ${{ secrets.DOCKER_USERNAME }}/pdbeccdutils:${{ env.DOCKER_TAG }} | |
| ${{ secrets.DOCKER_USERNAME }}/pdbeccdutils:latest | |
| - name: Login to GitLab Container Registry | |
| run: echo ${{ secrets.REGISTRY_PASSWORD }} | docker login -u ${{ secrets.REGISTRY_USERNAME }} --password-stdin ${{ vars.REGISTRY_URL }} | |
| - name: Build and tag Docker image | |
| run: docker build -t ${{ vars.REGISTRY_URL }}/${{ secrets.REGISTRY_USERNAME }}/packages/pdbeccdutils:latest -t ${{ vars.REGISTRY_URL }}/${{ secrets.REGISTRY_USERNAME }}/packages/pdbeccdutils:${{ env.DOCKER_TAG }} . | |
| - name: Push Docker image to GitLab Container Registry | |
| run: | | |
| docker push ${{ vars.REGISTRY_URL }}/${{ secrets.REGISTRY_USERNAME }}/packages/pdbeccdutils:latest | |
| docker push ${{ vars.REGISTRY_URL }}/${{ secrets.REGISTRY_USERNAME }}/packages/pdbeccdutils:${{ env.DOCKER_TAG }} |