Contributing to ChemFST

Thank you for considering contributing to ChemFST! This document provides guidelines and instructions to help you get started.

Code of Conduct

By participating in this project, you agree to abide by our Code of Conduct. Please read it before contributing.

How to Contribute

Reporting Issues

• Check if the issue has already been reported.
• Use the issue template when creating a new issue.
• Include a clear title and description.
• Add steps to reproduce the issue and expected behavior.
• Include version information (Rust version, OS, etc.).

Submitting Changes

1. Fork the Repository

   • Create your own fork of the repository.

2. Create a Branch

   • Create a branch for your feature or bugfix: git checkout -b feature/your-feature-name

3. Make Your Changes

   • Follow the coding style and guidelines.
   • Write tests for new features.
   • Keep commits focused and with clear messages.

4. Run Tests

   • Ensure all tests pass: cargo test
   • Run the linter: cargo clippy
   • Format your code: cargo fmt

5. Submit a Pull Request

   • Push your changes to your fork: git push origin feature/your-feature-name
   • Open a pull request against the main branch.
   • Describe your changes and reference any related issues.

Development Guidelines

Code Style

• Follow the Rust official style guide.
• Use cargo fmt before committing.
• Address all clippy warnings.

Testing

• Write tests for new functionality.
• Ensure existing tests pass with your changes.
• Integration tests go in the tests/ directory.
• Unit tests go within the module they're testing.

Documentation

• Keep documentation up-to-date.
• Document all public APIs with doc comments.
• Include examples where appropriate.

Commit Messages

• Use clear and meaningful commit messages.
• Start with a short summary line (50 chars or less).
• Optionally, follow with a blank line and a more detailed explanation.

Release Process

1. Version numbers follow Semantic Versioning.
2. Update CHANGELOG.md with notable changes.
3. Create a git tag for the new version.
4. Publish the crate using cargo publish.

Getting Help

If you need help with contributing, feel free to:

• Open an issue with questions.
• Reach out to maintainers directly.

Thank you for contributing to ChemFST!