gym-molecules Documentation¶
Installation¶
Stable release¶
To install gym_molecules, run this command in your terminal:
pip install gym_molecules
This is the preferred method to install gym_molecules, as it will always install the most recent stable release.
If you don’t have pip installed, this Python installation guide can guide you through the process.
From sources¶
The sources for gym_molecules can be downloaded from the Github repo.
You can either clone the public repository:
git clone git://github.com/yngtodd/gym_molecules
Or download the tarball:
curl -OL https://github.com/yngtodd/gym_molecules/tarball/master
Once you have a copy of the source, you can install it with:
python setup.py install
Contributing¶
Contributions are welcome, and they are greatly appreciated! Every little bit helps, and credit will always be given.
You can contribute in many ways:
Types of Contributions¶
Report Bugs¶
Report bugs at https://github.com/yngtodd/gym_molecules/issues.
If you are reporting a bug, please include:
- Your operating system name and version.
- Any details about your local setup that might be helpful in troubleshooting.
- Detailed steps to reproduce the bug.
Fix Bugs¶
Look through the GitHub issues for bugs. Anything tagged with “bug” is open to whoever wants to implement it.
Implement Features¶
Look through the GitHub issues for features. Anything tagged with “feature” is open to whoever wants to implement it.
Write Documentation¶
gym-molecules could always use more documentation, whether as part of the official gym-molecules docs, in docstrings, or even on the web in blog posts, articles, and such.
Submit Feedback¶
The best way to send feedback is to file an issue at https://github.com/yngtodd/gym_molecules/issues.
If you are proposing a feature:
- Explain in detail how it would work.
- Keep the scope as narrow as possible, to make it easier to implement.
- Remember that this is a volunteer-driven project, and that contributions are welcome :)
Get Started!¶
Ready to contribute? Here’s how to set up gym_molecules for local development.
- Fork the gym_molecules repo on GitHub.
- Clone your fork locally:
git clone git@github.com:your_name_here/gym_molecules.git
- Create a branch for local development:
git checkout -b name-of-your-bugfix-or-feature
Now you can make your changes locally.
- When you’re done making changes, check that your changes pass style and unit tests, including testing other Python versions with tox:
tox
To get tox, just pip install it.
- Commit your changes and push your branch to GitHub:
git add .
git commit -m "Your detailed description of your changes."
git push origin name-of-your-bugfix-or-feature
- Submit a pull request through the GitHub website.
Pull Request Guidelines¶
Before you submit a pull request, check that it meets these guidelines:
- The pull request should include tests.
- If the pull request adds functionality, the docs should be updated. Put your new functionality into a function with a docstring, and add the feature to the list in README.rst.
- The pull request should work for Python >= 3.6 and for PyPy.
Check https://travis-ci.org/yngtodd/gym_molecules
under pull requests for active pull requests or run the
tox
command and make sure that the tests pass for all supported Python versions.
Feedback¶
If you have any suggestions or questions about gym-molecules feel free to email me at youngmt1@ornl.gov.
If you encounter any errors or problems with gym-molecules, please let me know! Open an Issue at the GitHub http://github.com/yngtodd/gym_molecules main repository.
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