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AiiDAlab Quantum ESPRESSO Plugin Registry

This repository serves as the central registry for AiiDAlab-Quantum ESPRESSO App plugins. It's designed for developers who are either in the process of creating a new plugin or already have one developed. If you fit into one of these categories, you're encouraged to register your plugin here to become part of the official AiiDAlab plugin ecosystem.

Registering Your Plugin

To include your plugin in the registry, follow these steps:

  1. Fork this repository.
  2. Add your plugin to the plugins.yaml file. Place your entry at the end of the file, following this example: 
    ...
aiidalab-qe-xyz:
  description: "Quantum ESPRESSO plugin for XYZ by AiiDAlab."
  author: "Alice Doe"
  github: "https://github.com/alicedoe/aiidalab-qe-xyz"
  documentation: "https://aiidalab-qe-xyz.readthedocs.io/"
  pip: "aiidalab-qe-xyz"
  3. Submit a Pull Request. Direct it to this repository's Pull Requests section.

Plugin Entry Requirements

Required Keys

  • Top-level key: The plugin's distribution name, which should be lowercase and prefixed by aiidalab- or aiida-. For example, aiida-coolfeature or aiidalab-qe-neutron.
  • description: A brief description of your plugin.

Optional Keys

  • gitHub: If provided, this should be the URL to the plugin's GitHub homepage. At least one of github or pip is required.
  • pip: The PyPI package name for your plugin, useful for installation via pip. Example: aiida-quantum.
  • documentation: The URL to your plugin's online documentation, such as ReadTheDocs.
  • author: The developer of the plugin.

By following these guidelines, you can ensure your plugin is correctly listed and accessible within the AiiDAlab Quantum ESPRESSO plugin registry, facilitating its discovery and use by the community.