Adds workflow for building conda packages #2
Workflow file for this run
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| name: Conda | |
| on: | |
| push: | |
| tags: | |
| - v* | |
| pull_request: | |
| branches: | |
| - "main" | |
| jobs: | |
| test: | |
| name: Conda Build and Deployment for ${{ matrix.platform }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| include: | |
| - platform: linux-64 | |
| os: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| environment-file: devtools/conda-envs/conda-build.yml | |
| environment-name: build | |
| channels: conda-forge | |
| extra-specs: | | |
| python=3.11 | |
| - name: Conda Build and Upload | |
| shell: bash -l {0} | |
| working-directory: ./devtools/conda-recipes/anaconda | |
| run: | | |
| export PLUGIN_VERSION=${{ github.ref_name }} | |
| export PLUGIN_VERSION=v0.0.0 | |
| echo "::group::Building conda package for version $PLUGIN_VERSION" | |
| outdir=$(mktemp -d) | |
| conda mambabuild . --no-anaconda-upload -c conda-forge --output-folder $outdir | |
| echo "::endgroup::" | |
| echo "::group::Uploading packages to mdtools conda channel" | |
| export ANACONDA_API_TOKEN=${{ secrets.ANACONDA_TOKEN }} | |
| PACKAGES=$(find $outdir -name openmm-cpp-forces-*.tar.bz2) | |
| anaconda upload --user mdtools --force --label main $PACKAGES | |
| echo "::endgroup::" |