If you discover any strange or unexpected behaviour in pyMBE, please report it by opening an issue in this GitHub repository or by contacting Dr. Pablo M. Blanco (@pm-blanco) or any other member of the pyMBE development team. Once a ticket is open in GitHub, we will work to fix the issue as soon as possible.
New developers are welcome to contribute to extend the functionalities of the pyMBE module. To contribute to the pyMBE module, first one needs to be added as a member of this GitHub repository.
If you want to contribute to the development of the pyMBE module, please contact Dr. Pablo M. Blanco (@pm-blanco).
For more information on our authorship and contributorship policy, we refer the interested reader to our Contributor Manifesto.
Create a fork of the repository and submit your contribution in the form of a pull request.
Give your branch a short and meaningful name, and start your work from the most recent commit on the main branch.
Any new version of the code must reproduce all the data stored in testsuite/data.
Before pushing your code, run make tests to execute the full test suite,
make pylint to check for code issues, and make docs to confirm sphinx can build the user guide.
When rapidly prototyping code, run make unit_tests periodically to check for regressions.
All new code will be reviewed by at least one member of the pyMBE development team before
merging into the main branch to ensure that a functional version of the code is always available.
Class methods are sorted in alphabetical order.
We follow semantic versioning and keep a changelog.
We aim to keep the pyMBE community an open and friendly space for researchers to collaborate in developing tools for building coarse-grained models of polyelectrolytes and biomolecules. We adhere to the Contributor Covenant Code of Conduct v2.1 to provide guidelines on the expected behaviour of the members of our community and help maintain a healthy and a positive environment for our developers and users.