Update README.md #128
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| name: Testing - main | |
| on: [push, pull_request] | |
| jobs: | |
| test: | |
| name: Testing (${{ matrix.python-version }}, ${{ matrix.os }}) | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: true | |
| matrix: | |
| os: [ | |
| "ubuntu-latest", | |
| #"macos-latest", | |
| # "windows-latest" | |
| ] | |
| python-version: ["3.7"] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| shell: bash -l {0} | |
| run: | | |
| conda install -c conda-forge rdkit openbabel==3.1.1 | |
| conda install -c conda-forge tqdm | |
| conda install -c conda-forge tabulate | |
| #git clone https://github.com/polysimtools/pysimm | |
| #sudo python pysimm/complete_install.py --pysimm $PWD | |
| #source ~/.bashrc | |
| python -m pip install --upgrade pip | |
| pip install networkx | |
| pip install -e . | |
| - name: pytest | |
| shell: bash -l {0} | |
| run: | | |
| pip install pytest pytest-cov | |
| pytest test/test.py --color=yes --cov=psp --cov-report html:coverage_reports |