diff --git a/CHANGELOG.md b/CHANGELOG.md index 564bbca..f293a3d 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,12 +1,37 @@ # Changelog -## [Unreleased](https://github.com/SINTEF/oteapi-optimade/tree/HEAD) +## [v0.6.0.dev0](https://github.com/SINTEF/oteapi-optimade/tree/v0.6.0.dev0) (2024-09-04) -[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.5.1...HEAD) +[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.5.1...v0.6.0.dev0) -**Fixed bugs:** +## 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`. -- Use Trusted Publishers with PyPI [\#252](https://github.com/SINTEF/oteapi-optimade/issues/252) +**Implemented enhancements:** + +- Stop using the permanent dependencies branch [\#254](https://github.com/SINTEF/oteapi-optimade/issues/254) +- Support new OTEAPI session handling [\#213](https://github.com/SINTEF/oteapi-optimade/issues/213) +- Minimize SOFT data model to a single file [\#195](https://github.com/SINTEF/oteapi-optimade/issues/195) + +**Merged pull requests:** + +- Use proper packages [\#258](https://github.com/SINTEF/oteapi-optimade/pull/258) ([CasperWA](https://github.com/CasperWA)) +- Remove everything to do with the permanent dependencies branch [\#255](https://github.com/SINTEF/oteapi-optimade/pull/255) ([CasperWA](https://github.com/CasperWA)) +- Support OTEAPI Core v0.7 [\#236](https://github.com/SINTEF/oteapi-optimade/pull/236) ([CasperWA](https://github.com/CasperWA)) +- Single SOFT entity for structure resource [\#196](https://github.com/SINTEF/oteapi-optimade/pull/196) ([CasperWA](https://github.com/CasperWA)) ## [v0.5.1](https://github.com/SINTEF/oteapi-optimade/tree/v0.5.1) (2024-09-03) @@ -18,6 +43,10 @@ Update dependencies to support the latest core libraries. This release is done almost immediately prior to the v0.6.0.dev0 release, which will support the upcoming re-design of OTEAPI Core and the use of sessions. +**Fixed bugs:** + +- Use Trusted Publishers with PyPI [\#252](https://github.com/SINTEF/oteapi-optimade/issues/252) + **Merged pull requests:** - Use Trusted Publishers for publishing on PyPI [\#253](https://github.com/SINTEF/oteapi-optimade/pull/253) ([CasperWA](https://github.com/CasperWA)) diff --git a/oteapi_optimade/__init__.py b/oteapi_optimade/__init__.py index 0dd9592..ad7e71e 100644 --- a/oteapi_optimade/__init__.py +++ b/oteapi_optimade/__init__.py @@ -12,7 +12,7 @@ from ._utils import parse_assemblies, parse_species -__version__ = "0.5.1" +__version__ = "0.6.0.dev0" __author__ = "Casper Welzel Andersen" __author_email__ = "casper.w.andersen@sintef.no"