openff-nagl is causing issues with Windows Python 3.12. #145
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| name: Release Devel | |
| # Note that push and pull-request builds are automatically | |
| # now skipped by GitHub if | |
| # [skip ci], [ci skip], [no ci], [skip actions], or [actions skip] | |
| # are in the commit message. We don't need to check for this ourselves. | |
| on: | |
| workflow_dispatch: | |
| push: | |
| branches: [devel] | |
| jobs: | |
| build: | |
| name: build (${{ matrix.python-version }}, ${{ matrix.platform.name }}) | |
| runs-on: ${{ matrix.platform.os }} | |
| strategy: | |
| max-parallel: 6 | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.10", "3.11", "3.12"] | |
| platform: | |
| - { name: "windows", os: "windows-latest", shell: "pwsh" } | |
| - { name: "linux", os: "ubuntu-latest", shell: "bash -l {0}" } | |
| - { name: "macos", os: "macos-latest", shell: "bash -l {0}" } | |
| exclude: | |
| # Exclude all but the latest Python from all | |
| # but Linux | |
| - platform: | |
| { name: "macos", os: "macos-latest", shell: "bash -l {0}" } | |
| python-version: "3.10" | |
| - platform: | |
| { name: "macos", os: "macos-latest", shell: "bash -l {0}" } | |
| python-version: "3.11" | |
| - platform: { name: "windows", os: "windows-latest", shell: "pwsh" } | |
| python-version: "3.10" | |
| - platform: { name: "windows", os: "windows-latest", shell: "pwsh" } | |
| python-version: "3.11" | |
| environment: | |
| name: sire-build | |
| defaults: | |
| run: | |
| shell: ${{ matrix.platform.shell }} | |
| env: | |
| SIRE_DONT_PHONEHOME: 1 | |
| SIRE_SILENT_PHONEHOME: 1 | |
| SIRE_EMLE: 1 | |
| REPO: "${{ github.repository }}" | |
| steps: | |
| # | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| # | |
| - name: Install pixi | |
| uses: prefix-dev/setup-pixi@v0.9.4 | |
| with: | |
| run-install: false | |
| # | |
| - name: Install rattler-build | |
| shell: bash | |
| run: pixi global install rattler-build | |
| # | |
| - name: Generate recipe | |
| run: python ${{ github.workspace }}/actions/generate_recipe.py --features obs emle | |
| # | |
| - name: Write Python variant config | |
| shell: bash | |
| run: printf 'python:\n - "${{ matrix.python-version }}"\n' > "${{ github.workspace }}/python_variant.yaml" | |
| # | |
| - name: Build package using rattler-build | |
| shell: bash | |
| run: rattler-build build --recipe "${{ github.workspace }}/recipes/sire" -c conda-forge -c openbiosim/label/dev --variant-config "${{ github.workspace }}/python_variant.yaml" | |
| # | |
| - name: Install anaconda-client | |
| run: python -m pip install anaconda-client | |
| # | |
| - name: Upload package | |
| run: python ${{ github.workspace }}/actions/upload_package.py | |
| env: | |
| SRC_DIR: ${{ github.workspace }} | |
| ANACONDA_TOKEN: ${{ secrets.ANACONDA_TOKEN }} |