docs: developer #23
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| name: build | |
| on: [push] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ["3.8"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install TMalign | |
| run: | | |
| wget https://zhanggroup.org/TM-align/TMalign.cpp | |
| g++ -static -O3 -ffast-math -lm -o TMalign TMalign.cpp | |
| export PATH=$(pwd):$PATH | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest Cython | |
| pip install torch --index-url https://download.pytorch.org/whl/cpu | |
| pip install torch_geometric tensorflow-cpu dgl | |
| - name: Test with pytest | |
| run: | | |
| export PATH=$(pwd):$PATH | |
| pip install -r requirements.txt | |
| pip install coverage | |
| coverage run --source proteinshake -m pytest | |
| coverage report -m | |
| coverage xml | |
| - name: Upload coverage reports to Codecov | |
| uses: codecov/[email protected] | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: BorgwardtLab/proteinshake-v1 |