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CONTRIBUTING.rst

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Contributing

Reaktoro is an open-source project and we need your help to make it even more successful.

You can contribute to the project in many ways:

You can see the list of awesome people who has contributed to Reaktoro in the contributors page.

Reporting bugs

You got a bug and this is frustrating, we understand you. But don't worry — we'll be happy to fix it for you (provided it is indeed a bug!).

To report a bug, please go to Reaktoro's GitHub Issues and enter a descriptive title and write your issue with enough details. On the right side of the page, click on Labels and choose bug.

Have you heard about a Minimum Reproducible Example? Please provide such an example so that we can be more efficient in identifying the bug and fixing it for you.

Have you heard about Markdown? Please use Markdown syntax when writing your issues.

Proposing new features

You have a wish list for the Reaktoro development team (e.g., implementing certain modeling capabilities, supporting some specific thermodynamic databases) and you want to propose that to us. You can do so by going to Reaktoro's GitHub Issues and describing there your desired new feature. Please choose the enhancement label for this issue.

We'll do our best to get your proposed new features implemented. Understand, however, that we have limited resources and a tight schedule for ongoing projects, so that your requested additions could take some time to materialize depending on their complexity.

If you foresee Reaktoro could become an essential software component for the scientific and engineering investigations of your company or academic group, please consider financially supporting its development — we are always open to new additions to the team!

Performing benchmark calculations

You have used Reaktoro to perform some calculations for which you have experimental data (or you have performed similar calculations using other codes). We would be very excited if you could share with us your results! And if the results you obtained with Reaktoro are not great, please make sure we know about this and we'll be very happy to help you making your calculations more accurate.

Get in touch with us by going to Reaktoro's GitHub Issues and telling us what you want to share.

Contributing with documentation and examples

You have used Reaktoro for a while and you want now to contribute with some examples on how to use it for solving some specific problems. Thank you for your interest. We appreciate your effort and willingness to contribute.

Please go to Reaktoro's GitHub Issues and write a new issue, detailing what you want to do. Please select the label enhancement.

We have opted to use reStructuredText when writing documentation. There are some formatting requirements you need to follow, such as not inserting line breaks within paragraphs, but relying instead in your text editor to wrap lines automatically.

Contributing with development

Great, you have C++ and/or Python experience and you want to contribute to Reaktoro with code development! We're very excited about your decision in joining forces with us to develop new features, fix bugs, improve performance, and other tasks you might want to explore.

Before you start working with your contribution, please let us know what you want to do by going to Reaktoro's GitHub Issues and detailing there your intended development contribution. Please select the label enhancement.

By discussing your idea first with us, this promotes a more efficient workflow for both you and us when it comes the time to merge your contribution.

We use the Fork & Pull Request workflow to ensure everything works smoothly. Below is summary of the necessary steps you need to take:

  1. Fork this repository
  2. Clone the repository at your machine
  3. Add your changes in a branch named after what's being done (lower-case-with-hyphens)
  4. Make a pull request to reaktoro/Reaktoro, targeting the master branch

That's all for now. Is there any thing missing here? If so, please let us know.