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Unreleased changes (2024-11-25)

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v0.6.0.dev0 (2024-09-04)

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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
  • Support new OTEAPI session handling #213
  • Minimize SOFT data model to a single file #195

Merged pull requests:

v0.5.1 (2024-09-03)

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Update to latest dependencies

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

Merged pull requests:

  • Use Trusted Publishers for publishing on PyPI #253 (CasperWA)

v0.5.0 (2024-03-07)

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Implemented enhancements:

  • Migrate to pydantic v2 #163

Fixed bugs:

  • Pin to specific oteapi docker image version for testing #187

Merged pull requests:

v0.4.2 (2023-10-26)

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v0.4.1 (2023-10-26)

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Fixed bugs:

  • Invalid use of logging #174
  • OPTIMADE plugin produces empty instances of http://onto-ns.com/meta/1.0/OPTIMADEStructureSpecies #162

Merged pull requests:

v0.4.0 (2023-10-23)

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Implemented enhancements:

  • Add example(s) #124

Fixed bugs:

  • Wrong OPTIMADEStructureAttributes datamodel #164
  • Pipeline figure not being shown in docs #144
  • Updated DLite installation pathway #136
  • Segmentation fault from dlite in CI #115
  • init file missing in the new dlite module #113

Closed issues:

  • Make the JSON-serialisation of entities human readable #160
  • Use ruff instead of pylint (and isort) #156

Merged pull requests:

v0.3.0 (2023-03-30)

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Implemented enhancements:

  • Use SINTEF/ci-cd CI - Tests workflow #71
  • Implement support for DLite #31

Fixed bugs:

  • Fix CI/CD workflows for external usage #84
  • Update to SINTEF/ci-cd instead of CasperWA/ci-cd #72

Closed issues:

  • Use SINTEF/ci-cd v2 #104
  • Reinstate pre-commit hooks for docs #68

Merged pull requests:

v0.2.2 (2022-07-06)

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Implemented enhancements:

  • Update to use all workflows from CasperWA/gh-actions #63 (CasperWA)

Fixed bugs:

  • New workflow is removing API reference in documentation #64

Closed issues:

  • Update to new repository name for callable workflows #66

Merged pull requests:

  • Use new repo name for callable workflows repo #67 (CasperWA)
  • Properly create API reference and clean up #65 (CasperWA)

v0.2.1 (2022-07-01)

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Closed issues:

  • Set test: false for publish workflow #61

Merged pull requests:

v0.2.1-alpha.1 (2022-07-01)

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Implemented enhancements:

  • Auto-merge generated PR from new workflow #49
  • Properly update dependencies #46
  • Use CasperWA/gh-actions workflows #60 (CasperWA)

Fixed bugs:

  • New workflow failing #48

Merged pull requests:

  • [Auto-generated] Update dependencies #53 (TEAM4-0)
  • [Auto-generated] Update dependencies #52 (TEAM4-0)
  • Auto-merge new CD workflow-generated PR #50 (CasperWA)
  • New CD workflow to update dependencies in pyproject.toml #47 (CasperWA)
  • [Auto-generated] Update dependencies #44 (TEAM4-0)

v0.2.0 (2022-05-18)

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Implemented enhancements:

  • Implement OPTIMADE filter strategy #4

Fixed bugs:

  • CI docker connection issues #34

Closed issues:

  • Use the optimade container image in CI #41
  • Extend acknowledgements in README #38

Merged pull requests:

v0.1.0 (2022-03-29)

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Implemented enhancements:

  • Correctly handle trailing slashes (/) #28

Merged pull requests:

v0.0.2 (2022-03-29)

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Implemented enhancements:

  • Implement OPTIMADE parse strategy #5
  • Implement OPTIMADE resource strategy #3

Fixed bugs:

  • Fix CI connection refusal for pytest-real-backend job #26
  • CD workflow failing - flit not building #23
  • Black issue with click #21
  • CD workflow failing #18
  • GH GraphQL type issue in auto-merge workflow #6
  • Fix CI #1

Closed issues:

  • CI test with end-to-end #17

Merged pull requests:

* This Changelog was automatically generated by github_changelog_generator