Contribute

Thank you for your interest in contributing to PyChemkin. Contributions for making the project better can include fixing bugs, adding new features, and improving the documentation.

Overall guidance on contributing to a PyAnsys library appears in the Contributing topic in the PyAnsys developer’s guide. Ensure that you are thoroughly familiar with this guide before attempting to contribute to PyChemkin.

The following contribution information is specific to PyChemkin.

• Clone the repository.

  To clone and install the latest PyChemkin release in development mode, run these commands:

  git clone https://github.com/ansys/pychemkin/
  cd pychemkin
  python -m pip install --upgrade pip
  pip install -e .
  

• Follow the code style.

  PyChemkin follows the PEP 8 standard as described in PEP 8 in the PyAnsys developer’s guide and uses pre-commit for style checking.

  To ensure your code meets minimum code styling standards, run these commands:

  pip install pre-commit
  pre-commit run --all-files
  

  You can also install this as a pre-commit hook by running this command:

  pre-commit install
  

• Run the tests.

  Prior to running the tests, you must run this command to install the test dependencies:

  pip install - .tests
  

  To run the tests, navigate to the root directory of the repository and run this command:

  pytest
  

• Build the documentation.

  Prior to building the documentation, you must run this command to install the documentation dependencies:

  pip install -e .doc
  

  To build the documentation, run the following commands:

  cd doc
  

  • On Linux:

    make html
    

  • On Windows:

    ./make.bat html
    

The documentation is built in the docs/_build/html directory.