SINTEF / oteapi-optimade

A plugin repository for OTE API implementing OPTIMADE strategies and capabilities.
https://SINTEF.github.io/oteapi-optimade
MIT License
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Release summary v0.6.0.dev0 #257

Closed CasperWA closed 2 months ago

CasperWA commented 2 months ago

Support modern session handling in OTEAPI Core

From OTEAPI Core v0.7.0, sessions are handled differently in strategies, leading to signature changes in the strategy methods. This development release version matches the current development release version(s) of OTEAPI Core (and OTELib).

Single entity OPTIMADE Structure Resource

A single entity has been added to parse an OPTIMADE Structure resource. The DLite parse strategy has been updated to support this new entity.

Furthermore, utility/helper functions to parse the resulting species and assemblies data are available at oteapi_optimade.parse_species() and oteapi_optimade.parse_assemblies(), respectively.

DX updates

The permanent dependencies branch has been removed in favor of using Dependabot's groups feature and merging everything directly into main.