Relationship to aiida-optimade

[chrisjsewell]

@CasperWA has implemented https://github.com/aiidateam/aiida-optimade, which is essentially a specialised aiida server for optimade (mainly focused on querying for StructureData).
We should think if there is anything we can "share", be it actual code or just general ideas.

FYI @CasperWA you may be interested to see I took Optimade's filter grammar as an initial starting point for a querybuilder one: https://github.com/aiidateam/aiida-restapi/blob/master/aiida_restapi/static/filter_grammar.lark

[CasperWA]

@CasperWA has implemented https://github.com/aiidateam/aiida-optimade, which is essentially a specialised aiida server for optimade (mainly focused on querying for StructureData).

It has support also for CifData nodes, but a bit ad hoc at the moment, since it takes the nodes, converts them to StructureData on-the-fly, calculates and the OPTIMADE fields and stores them as Node extras in the original CifData nodes. So a bit more cumbersome process, but the idea is to "prepare" an AiiDA database like this prior to actually serving the data, and any filtering and querying is done on the Node extras (this is also true for StructureData nodes).

We should think if there is anything we can "share", be it actual code or just general ideas.

Sure. I'd love to discuss at some point.

FYI @CasperWA you may be interested to see I took Optimade's filter grammar as an initial starting point for a querybuilder one: https://github.com/aiidateam/aiida-restapi/blob/master/aiida_restapi/static/filter_grammar.lark

Yeah. I must admit I don't see much of a point as to why there is a need to define a whole new filter query language in this package for something that is already defined, either via JSON objects or through another established query language (like the use of GraphQL).