Ensure successful execution through CCS and NMR chemical shifts #196
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| name: Continuous Integration / Deployment | |
| on: [pull_request, push] | |
| jobs: | |
| Format: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Apply formatting | |
| uses: github/super-linter@v4 | |
| env: | |
| VALIDATE_ALL_CODEBASE: false | |
| VALIDATE_PYTHON_PYLINT: true | |
| VALIDATE_PYTHON_FLAKE8: true | |
| VALIDATE_PYTHON_ISORT: true | |
| DEFAULT_BRANCH: main | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| IGNORE_GITIGNORED_FILES: true | |
| Test_Linux: | |
| needs: | |
| - Format | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Setup environment | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| miniforge-variant: miniforge3 | |
| miniforge-version: latest | |
| use-mamba: true | |
| environment-file: envs/linux.yml | |
| use-only-tar-bz2: false | |
| auto-activate-base: false | |
| activate-environment: isicle | |
| - name: Install ISiCLE | |
| run: pip install --no-deps . | |
| - name: Test environment | |
| run: | | |
| python -c "import isicle" | |
| # pytest | |
| Test_Mac: | |
| needs: | |
| - Format | |
| runs-on: macos-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Setup environment | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| miniforge-variant: miniforge3 | |
| miniforge-version: latest | |
| use-mamba: true | |
| environment-file: envs/osx.yml | |
| use-only-tar-bz2: false | |
| auto-activate-base: false | |
| activate-environment: isicle | |
| - name: Install ISiCLE | |
| run: pip install --no-deps . | |
| - name: Test environment | |
| run: | | |
| python -c "import isicle" | |
| # pytest | |
| Deploy: | |
| if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') | |
| needs: | |
| - Test_Linux | |
| - Test_Mac | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| include: | |
| - os: ubuntu-latest | |
| target-platform: linux-64 | |
| - os: macos-latest | |
| target-platform: osx-arm64 | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Build conda package | |
| uses: prefix-dev/rattler-build-action@v0.2.24 | |
| with: | |
| # Needs to be unique for each matrix entry | |
| artifact-name: isicle-${{ matrix.target-platform }} | |
| recipe-path: conda.recipe/recipe.yaml | |
| build-args: > | |
| --target-platform ${{ matrix.target-platform }} | |
| --variant-config conda.recipe/variants.yaml | |
| --output-dir build/ | |
| -c conda-forge | |
| -c bioconda | |
| -c smcolby | |
| - name: Upload conda package | |
| env: | |
| ANACONDA_API_KEY: ${{ secrets.ANACONDA_TOKEN }} | |
| run: | | |
| for pkg in $(find build/ -type f \( -name "*.conda" -o -name "*.tar.bz2" \) ); do | |
| echo "Uploading ${pkg}" | |
| rattler-build upload anaconda --owner smcolby "${pkg}" | |
| done |