e3nn #662
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| name: alignn-action | |
| on: [push, pull_request] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: [3.9] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install numpy | |
| python setup.py install | |
| - name: Lint | |
| run: | | |
| pip install flake8 pytest pycodestyle pydocstyle | |
| pycodestyle --ignore E203,W503 --exclude=tests alignn | |
| pydocstyle --match-dir=core --match-dir=io --match-dir=io --match-dir=ai --match-dir=analysis --match-dir=db --match-dir=tasks --count alignn | |
| flake8 --ignore E203,W503 --exclude=tests --statistics --count --exit-zero alignn | |
| - name: Test with pytest | |
| run: | | |
| export DGLBACKEND=pytorch | |
| export CUDA_VISIBLE_DEVICES="-1" | |
| #pip install dgl-cu111 | |
| pip install flake8 pytest pycodestyle pydocstyle codecov pytest-cov coverage | |
| #pip uninstall -y torch nvidia-cublas-cu11 nvidia-cuda-nvrtc-cu11 nvidia-cuda-runtime-cu11 nvidia-cudnn-cu11 | |
| #conda install -y pytorch-cpu | |
| #pip install attrs==22.1.0 certifi==2022.9.24 charset-normalizer==2.1.1 codecov==2.1.12 contourpy==1.0.5 coverage==6.5.0 cycler==0.11.0 dgl==0.9.1 flake8==5.0.4 fonttools==4.38.0 idna==3.4 iniconfig==1.1.1 jarvis-tools==2022.9.16 joblib==1.2.0 kiwisolver==1.4.4 matplotlib==3.6.1 mccabe==0.7.0 networkx==3.0b1 numpy==1.23.4 packaging==21.3 pandas==1.5.1 Pillow==9.2.0 pluggy==1.0.0 psutil==5.9.3 py==1.11.0 pycodestyle==2.9.1 pydantic==1.10.2 pydocstyle==6.1.1 pyflakes==2.5.0 pyparsing==2.4.7 pytest==7.1.3 pytest-cov==4.0.0 python-dateutil==2.8.2 pytorch-ignite==0.5.0.dev20221024 pytz==2022.5 requests==2.28.1 scikit-learn==1.1.2 scipy==1.9.3 six==1.16.0 snowballstemmer==2.2.0 spglib==2.0.1 threadpoolctl==3.1.0 tomli==2.0.1 toolz==0.12.0 torch==1.12.1 tqdm==4.64.1 typing_extensions==4.4.0 urllib3==1.26.12 xmltodict==0.13.0 | |
| echo 'PIP freeze' | |
| pip freeze | |
| coverage run -m pytest | |
| coverage report -m -i | |
| codecov | |
| codecov --token="85bd9c5d-9e55-4f6d-bd69-350ee5e3bb41" | |
| echo 'Train folder' | |
| train_folder.py -h | |
| echo 'Pre-trained models' | |
| pretrained.py -h | |
| #train_folder.py --root_dir "alignn/examples/sample_data" --config "alignn/examples/sample_data/config_example.json" --output_dir=temp |