How to contribute - AtChem/AtChem2 GitHub Wiki

The best way to contribute to the development of AtChem2 is to use git. Coding guidelines can be found in the AtChem2 manual (in the doc/ directory) and Python scripts to check the formatting and the style of the code are available in the tools/ directory. A working knowledge of git is required.

The procedure to submit contributions with git is as follows:

1. Fork the main repository (AtChem/AtChem2) to a local repository (username/AtChem2).

2. Configure git so that origin is the forked repository (username/AtChem2) and upstream is the main repository (AtChem/AtChem2). The output of git remote -v should look like this:

   origin	[email protected]:username/AtChem2.git (fetch)
   origin	[email protected]:username/AtChem2.git (push)
   upstream	[email protected]:AtChem/AtChem2.git (fetch)
   upstream	[email protected]:AtChem/AtChem2.git (push)
   

3. Create a new branch in the forked repository. Edit the code on the new branch, then commit and push. Before committing, it is recommended to run the Test Suite locally by executing the command make alltests (or make oldtests, if FRUIT is not installed). The Test Suite verifies that the proposed changes will not break the code and checks that the new code conforms to the style guidelines.

4. Submit a pull request, together with a brief description of the proposed changes. One of the admins will review the pull request and approve it or ask for additional modifications, as appropriate.

Contributions can also be submitted via email or via the Issues page.