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CONTRIBUTING.md

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Contributing to PyG

If you are interested in contributing to PyG, your contributions will likely fall into one of the following two categories:

  1. You want to implement a new feature:
    • In general, we accept any features as long as they fit the scope of this package. If you are unsure about this or need help on the design/implementation of your feature, post about it in an issue.
  2. You want to fix a bug:
    • Feel free to send a Pull Request (PR) any time you encounter a bug. Please provide a clear and concise description of what the bug was. If you are unsure about if this is a bug at all or how to fix, post about it in an issue.

Once you finish implementing a feature or bug-fix, please send a PR to https://github.com/pyg-team/pytorch_geometric. Your PR will be merged after one or more rounds of reviews by the pyg-team. If your PR isn't merged anytime soon (e.g., due to its large size, complexity or unavailability of reviewers), try moving your contribution to the torch_geometric.contrib package. torch_geometric.contrib has less rigourous review requirements and might lead to your PR getting merged faster.

Developing PyG

To develop PyG on your machine, here are some tips:

  1. Ensure that you are running on one of the two latest PyTorch releases (e.g., 2.2.0):

    import torch
print(torch.__version__)

  2. (Optional) Follow the installation instructions to install pyg-lib, torch-scatter, torch-sparse, torch-cluster and torch-spline-conv (if you haven't already). Note that this step is optional and only necessary if you develop a feature that uses one of these libraries.

    pip install pyg-lib torch-scatter torch-sparse torch-cluster torch-spline-conv -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html

    where ${TORCH} should be replaced by your PyTorch version (e.g., 2.2.0), and ${CUDA} should be replaced by your CUDA version (e.g., cpu, cu118 or cu121).

  3. Uninstall all existing PyG installations. It is advised to run this command repeatedly to confirm that installations across all locations are properly removed.

    pip uninstall torch-geometric
pip uninstall torch-geometric  # run this command twice

  4. Fork and clone the PyG repository:

    git clone https://github.com/<your_username>/pytorch_geometric
cd pytorch_geometric

  5. If you already cloned PyG from source, update it:

    git pull

  6. Install PyG in editable mode:

    pip install -e ".[dev,full]"

    This mode will symlink the Python files from the current local source tree into the Python install. Hence, if you modify a Python file, you do not need to re-install PyG again.

  7. Ensure that you have a working PyG installation by running the entire test suite with

    pytest

    In case an error occurs, please first check if all sub-packages (pyg-lib, torch-scatter, torch-sparse, torch-cluster and torch-spline-conv) are on its latest reported version.

  8. Install pre-commit hooks:

     pre-commit install

Unit Testing

The PyG testing suite is located under test/. Run the entire test suite with

pytest

or test individual files via, e.g., pytest test/utils/test_convert.py.

Continuous Integration

PyG uses GitHub Actions in combination with CodeCov for continuous integration.

Everytime you send a Pull Request, your commit will be built and checked against the PyG guidelines:

  1. Ensure that your code is formatted correctly by testing against the styleguide of flake8. We use the Flake8-pyproject plugin for configuration:

    flake8 .

    If you do not want to format your code manually, we recommend to use yapf.

  2. Ensure that the entire test suite passes and that code coverage roughly stays the same. Please feel encouraged to provide a test with your submitted code. To test, either run

    pytest --cov

    or

    FULL_TEST=1 pytest --cov

    (which runs a set of additional but time-consuming tests) dependening on your needs.

  3. Add your feature/bugfix to the CHANGELOG.md. If multiple PRs move towards integrating a single feature, it is advised to group them together into one bullet point.

Building Documentation

To build the documentation:

  1. Build and install PyG from source.
  2. Install Sphinx theme via 
    pip install git+https://github.com/pyg-team/pyg_sphinx_theme.git
  3. Generate the documentation via: 
    cd docs
make html

The documentation is now available to view by opening docs/build/html/index.html.