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CONTRIBUTING.md

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How to contribute

Contributions and bug fixes are welcomed. Here's how to get involved.

General guidelines

  • The code must obey a given format (specified by the .clang-format file in the top-level directory). To impose this format, you can run clang-format -i *.h *.cc on any files you touch, or set up almost any text editor to do this automatically. See the documentation for more information.

  • Direct pushes to the main repository are not permitted. This allows sanity checks to be performed before merging any changes. This is effected by mandating changes be provided in the form of pull requests, for which the procedure is outlined below.

  • In the spirit of clean and readable code, please also keep commit messages informative and consistent. A very short and excellent set of guidelines, with examples, can be found here; please read before getting stuck into writing code for this project.

  • Don't be afraid of breaking things! Because you'll be pushing requests, any changes will be subjected to testing and peer review before merging. If we don't like what you've done, we'll either guide you through any changes we'd like, or we'll simply reject the changes if they're not deemed appropriate. Either way, you can't break anything in the code without us having a chance to intervene.

Process for contributing

  • Add some really awesome code to your local fork on a branch other than master. Try to give the new branch a name related to the change you're going to make.
  • When you are ready for others to examine and comment on your new feature, navigate to your fork of Psi4 on GitHub and open a pull request (PR). Note that after you launch a PR from one of your fork's branches, all subsequent commits to that branch will be added to the open pull request automatically. Each commit added to the PR will be validated for mergability, compilation and test suite compliance; the results of these tests will be visible on the PR page.
  • If you're providing a new feature, you must add test cases and documentation.
  • When the code is ready to go, make sure you run the full or relevant portion of the test suite on your local machine to check that nothing is broken.
  • When you're ready to be considered for merging, check the "Ready to go" box on the PR page to let the team know that the changes are complete. The code will not be merged until this box is checked, the continuous integration tests have been completed, and core developers have reviewed the changes.

Additional Resources