switch to poetry #126
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| name: unittests | |
| on: | |
| ['push','pull_request'] | |
| jobs: | |
| build: | |
| runs-on: ${{ matrix.platform }} | |
| strategy: | |
| matrix: | |
| platform: [ubuntu-latest, macos-latest] | |
| python-version: [3.9] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| with: | |
| submodules: recursive | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2.2.2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip setuptools wheel | |
| pip install -r requirements.txt coverage[toml] tox | |
| - name: Install gdock | |
| env: | |
| GDOCK_PATH: ./ | |
| run: | | |
| cd src | |
| wget http://servers.sparks-lab.org/downloads/dcomplex2.tar.gz | |
| tar zxfv dcomplex2.tar.gz | |
| rm dcomplex2.tar.gz | |
| cd dcomplex_single_file | |
| sed "s|5400|54000|g" dcomplex.c > oo | |
| mv oo dcomplex.c | |
| sed "s|charge_inp.dat|$GDOCK_PATH/src/dcomplex_single_file/charge_inp.dat|g" dcomplex.c > oo | |
| mv oo dcomplex.c | |
| sed "s|\"fort.21_alla\"|\"$GDOCK_PATH/src/dcomplex_single_file/fort.21_alla\"|g" dcomplex.c > oo | |
| mv oo dcomplex.c | |
| g++ -o dcomplex dcomplex.c | |
| cd ../ | |
| # fcc2 | |
| pip install git+https://github.com/joaorodrigues/fcc@fcc2 | |
| # haddock-tools | |
| git clone https://github.com/haddocking/haddock-tools | |
| cd haddock-tools | |
| g++ -O2 -o contact-chainID contact-chainID.cpp | |
| cd ../ | |
| # profit | |
| wget http://www.bioinf.org.uk/software/profit/235216/profit.tar.gz | |
| tar zxvf profit.tar.gz | |
| rm profit.tar.gz | |
| cd ProFit_V3.3/src || exit | |
| make | |
| cd ../../ | |
| # edit paths | |
| cd ../ | |
| sed s"|/Users/rodrigo/repos/gdock|$GDOCK_PATH|g" etc/gdock.ini > oo | |
| mv oo etc/gdock.ini | |
| shell: bash | |
| - name: Test | |
| if: always() | |
| run: coverage run -m unittest discover | |
| # from https://github.com/codecov/codecov-action | |
| - name: Generate coverage report | |
| if: ${{ success() }} | |
| run: | | |
| coverage xml | |
| # - name: Upload coverage to Codecov | |
| # uses: codecov/codecov-action@v2 | |
| # with: | |
| # files: ./coverage.xml | |
| # fail_ci_if_error: true | |
| # verbose: true | |
| - name: Run codacy-coverage-reporter | |
| uses: codacy/codacy-coverage-reporter-action@v1 | |
| with: | |
| api-token: ${{ secrets.CODACY_API_TOKEN }} | |
| coverage-reports: coverage.xml |