backbone (partial) #795
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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):$PATH | |
- name: Install dependencies | |
run: | | |
python -m pip install --upgrade pip | |
pip install flake8 pytest Cython | |
pip install torch==1.12.0 torch-scatter==2.0.9 torch-sparse==0.6.15 torch-cluster==1.6.0 torch-spline-conv==1.2.1 torch-geometric==2.1.0.post1 -f https://data.pyg.org/whl/torch-1.12.0+cpu.html | |
pip install tensorflow | |
pip install dgl | |
if [ -f requirements.txt ]; then pip install -r requirements.txt; fi | |
- name: Test with pytest | |
run: | | |
export PATH=$(pwd):$PATH | |
pip install -r requirements.txt | |
pip install coverage | |
coverage run --source proteinshake -m pytest | |
coverage report -m | |
coverage xml | |
- name: Upload Coverage | |
uses: codecov/codecov-action@v2 | |
with: | |
token: ${{ secrets.CODECOV_TOKEN }} | |
files: coverage.xml | |
flags: pytest | |
name: proteinshake | |
fail_ci_if_error: true | |
verbose: true |