comp fast. #657
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: alignn-action | |
| on: [push, pull_request] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: [3.8,3.9] | |
| 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 |