v2.8.0 #66
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: | |
| release: | |
| types: [published] | |
| permissions: | |
| contents: read | |
| jobs: | |
| update: | |
| name: Update docs | |
| runs-on: ubuntu-latest | |
| permissions: | |
| contents: write | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| fetch-depth: 0 | |
| token: ${{ secrets.PAT }} | |
| ref: main | |
| - name: Install dependencies | |
| run: | | |
| conda create --name proteinflow -y python=3.9 | |
| conda run -n proteinflow python -m pip install torch --extra-index-url https://download.pytorch.org/whl/cpu | |
| conda run -n proteinflow python -m pip install numpy | |
| conda run -n proteinflow python -m pip install -e . | |
| - name: Install pdoc3 and black | |
| run: | | |
| conda run -n proteinflow python -m pip install pdoc3 black | |
| - name: Reformat the code | |
| run: | | |
| conda run -n proteinflow black . | |
| - name: Update the docs | |
| run: | | |
| git pull origin main | |
| conda run -n proteinflow . dev/make_docs.sh | |
| echo ${{ needs.test.outputs.update }} | |
| - uses: stefanzweifel/git-auto-commit-action@v4 | |
| with: | |
| commit_message: auto update | |
| skip_checkout: true | |
| conda: | |
| name: Push to Anaconda | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Setup miniconda | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true | |
| miniforge-variant: Mambaforge | |
| channels: conda-forge | |
| python-version: 3.9 | |
| use-mamba: true | |
| - name: Install dependencies | |
| run: | | |
| mamba install -y boa -c conda-forge | |
| mamba install -y anaconda-client | |
| anaconda login --username ${{ secrets.CONDA_USERNAME }} --password ${{ secrets.CONDA_PASSWORD }} | |
| - name: Build and upload the conda packages for linux-64 and osx-64 | |
| run: | | |
| conda mambabuild --no-anaconda-upload .conda/default -c conda-forge -c bioconda --output-folder . | |
| anaconda upload --force ./linux-64/*.tar.bz2 | |
| conda convert --platform osx-64 ./linux-64/*.tar.bz2 | |
| anaconda upload --force ./osx-64/*.tar.bz2 | |
| - name: Build and upload the conda packages for osx-arm64 | |
| run: | | |
| conda mambabuild --no-anaconda-upload .conda/arm64 -c conda-forge -c bioconda --output-folder . | |
| conda convert --platform osx-arm64 ./linux-64/*.tar.bz2 | |
| anaconda upload --force ./osx-arm64/*.tar.bz2 | |
| pypi_and_dockerhub: | |
| runs-on: ubuntu-latest | |
| name: Push to PyPI and DockerHub | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: '3.9' | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install build | |
| - name: Build package | |
| run: python -m build | |
| - name: Publish package | |
| uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| - name: Login to Docker Hub | |
| uses: docker/login-action@v2 | |
| with: | |
| username: adaptyvbio | |
| password: ${{ secrets.DOCKER_PASS }} | |
| - name: Build and push Docker image | |
| run: | | |
| docker build -t adaptyvbio/proteinflow:${{ github.event.release.tag_name }} . | |
| docker image push adaptyvbio/proteinflow:${{ github.event.release.tag_name }} | |
| docker tag adaptyvbio/proteinflow:${{ github.event.release.tag_name }} adaptyvbio/proteinflow:latest | |
| docker image push adaptyvbio/proteinflow:latest | |
| - name: Push README to Dockerhub | |
| uses: christian-korneck/update-container-description-action@v1 | |
| env: | |
| DOCKER_USER: adaptyvbio | |
| DOCKER_PASS: ${{ secrets.DOCKER_PASS }} | |
| with: | |
| destination_container_repo: adaptyvbio/proteinflow | |
| provider: dockerhub | |
| short_description: 'Versatile pipeline for processing protein structure data for deep learning applications.' | |
| readme_file: 'README.md' |