Maintaining an MDAKit

Note

This section is still under construction. If you have topics you would like to see covered here, please get in touch via MDAnalysis Github Discussions.

Successfully registering an MDAKit is not the end of the journey! A software package still requires input to keep it healthy and thriving. This includes both expanding and adding new features and ensuring the MDAKit continues to run as intended. While not required for an MDAKit to remain in the registry, such activities are highly encouraged.

Now that it is registered, your kit will be part of the MDAKits Registry CI: your kits’ tests (as specified in metadata.yaml) are automatically rerun twice each week, so that you (and potential users) have assurance that your code still works as intended, or are notified when it does not.

However, the ultimate responsibility for maintaining your MDAKit remains with you.

The sections below provide some information to keep in mind for maintaining your MDAKit after registration.

• Keeping an MDAKit healthy
• Updating the MDAKit’s metadata

• Improving your MDAKit
  • Adding new features
  • Go beyond the minimal MDAKit Registry requirements

Want to go even further beyond your MDAKit? You can also help us out by reviewing other MDAKits!