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Use proper packages (#258)
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* Use newly published oteapi-dlite-Mod package

* Revert "Release v0.6.0.dev0 - Changelog"

This reverts commit 866661a.
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CasperWA authored Sep 4, 2024
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57 changes: 3 additions & 54 deletions CHANGELOG.md
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## [Unreleased](https://github.com/SINTEF/oteapi-optimade/tree/HEAD)

[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.6.0.dev0...HEAD)
[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.5.1...HEAD)

## 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`.

**Implemented enhancements:**

- Stop using the permanent dependencies branch [\#254](https://github.com/SINTEF/oteapi-optimade/issues/254)

## [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...v0.6.0.dev0)

## 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`.

**Implemented enhancements:**

- 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:**
**Fixed bugs:**

- 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))
- Use Trusted Publishers with PyPI [\#252](https://github.com/SINTEF/oteapi-optimade/issues/252)

## [v0.5.1](https://github.com/SINTEF/oteapi-optimade/tree/v0.5.1) (2024-09-03)

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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))
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2 changes: 1 addition & 1 deletion oteapi_optimade/__init__.py
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from ._utils import parse_assemblies, parse_species

__version__ = "0.6.0.dev0"
__version__ = "0.5.1"
__author__ = "Casper Welzel Andersen"
__author_email__ = "[email protected]"

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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -34,7 +34,7 @@ dependencies = [
"optimade[server] ~=1.1",
"oteapi-core ~=0.7.0.dev2",
# "oteapi-dlite >=0.2.0,<1",
"oteapi-dlite-mod @ git+https://github.com/SINTEF/oteapi-dlite-Mod.git@master#egg=oteapi-dlite-mod",
"oteapi-dlite-Mod >=0.2.0,<1",
"requests ~=2.32",
"typing-extensions ~=4.12; python_version < '3.10'",
]
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