Adapt to rdkit-pypi #2
Workflow file for this run
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| name: CI | |
| on: | |
| workflow_dispatch: | |
| pull_request: | |
| branches: | |
| - master | |
| push: | |
| branches: | |
| - master | |
| tags: '*' | |
| jobs: | |
| test: | |
| name: chembl_structure_pipeline (${{ matrix.os }}, ${{ matrix.python-version }}, ${{ matrix.rdkit-version }}) | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: ["ubuntu-latest", "macos-latest"] | |
| python-version: ["3.8", "3.9"] | |
| rdkit-version: ["2021.03"] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| channels: conda-forge | |
| activate-environment: cspipeline | |
| auto-update-conda: true | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install RDKit and nose | |
| shell: bash -l {0} | |
| run: conda install rdkit=${{ matrix.rdkit-version }} nose | |
| - name: Install chembl_structure_pipeline | |
| shell: bash -l {0} | |
| run: python setup.py install | |
| - name: Run tests | |
| shell: bash -l {0} | |
| run: nosetests --with-doctest |