aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
Other
55 stars 82 forks source link

Revisit `BaseParser` when integrating into `PwParser` #953

Open mbercx opened 1 year ago

mbercx commented 1 year ago

In https://github.com/aiidateam/aiida-quantumespresso/pull/756, a large refactoring is done to rely on a BaseParser parent class for all the parsers except PwParser, since this is a rather massive beast that is also undergoing a separate refactor in https://github.com/aiidateam/aiida-quantumespresso/pull/940. Although there are still several open discussions in #756, it's better to merge this initial refactor, keeping track of these discussions so we can consider them when also integrating the BaseParser class into PwParser. This seems the better approach, since it's likely we will rethink some of our choices when we put them into the context of the PwParser.

Below is a list of open discussions: