v1.2.0

Update Python support

Drop Python 3.8 support, while adding Python 3.11 support.
This ensures support for the latest versions of AiiDA, OPTIMADE Python tools and pymatgen.

Thanks to @eimrek for upgrading the repository.

Changelog

v1.2.0 (2023-11-06)

Full Changelog

Closed issues:

• Drop python 3.8 support #499

Merged pull requests:

• Update dependencies #505 (@CasperWA)
• Drop py38 #500 (@eimrek)

* This Changelog was automatically generated by github_changelog_generator

v1.1.2

Update dependencies prior to dropping Python 3.8 support

This is a patch update to include dependency updates for a v1.1 release, prior to releasing v1.2, which drops Python 3.8 support.

Changelog

v1.1.2 (2023-11-06)

Full Changelog

Merged pull requests:

• Update dependencies #498 (CasperWA)
• Update dependencies #495 (CasperWA)
• Update dependencies #493 (CasperWA)
• Update dependencies #491 (CasperWA)
• Update dependencies #488 (CasperWA)
• Update dependencies #487 (CasperWA)
• Update dependencies #475 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v1.1.1

• fixes #381 by #471

Changelog

v1.1.1 (2023-06-09)

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Fixed bugs:

• codecov dependency error #451
• Remove/Update pre-commit hook for yamlfmt #450
• Update auto-merge workflow #426
• Dependabot configuration file should only use strings #418
• Changed optimade extra dependency #416

Closed issues:

• available_api_versions broken url #381

Merged pull requests:

• add root_path to available_api_versions urls #471 (eimrek)
• Update dependencies #467 (CasperWA)
• Update dependencies #463 (CasperWA)
• Update dependencies #458 (CasperWA)
• Update dependencies #456 (CasperWA)
• Update dependencies #454 (CasperWA)
• Update dependencies #449 (CasperWA)
• Update dependencies #447 (CasperWA)
• Update dependencies #444 (CasperWA)
• Update dependencies #442 (CasperWA)
• Update dependencies #439 (CasperWA)
• Update dependencies #436 (CasperWA)
• Update dependencies #433 (CasperWA)
• Fix references to the optimade dependency #429 (CasperWA)
• Update dependencies #428 (CasperWA)
• Update dependencies #423 (CasperWA)
• Update dependencies #421 (CasperWA)
• Customize YAML formatter #419 (CasperWA)
• Update dependencies #410 (CasperWA)
• Update dependencies #405 (CasperWA)
• Update dependencies #402 (CasperWA)
• Fix FastAPI version to 0.86.0 #400 (CasperWA)
• Update dependencies #395 (CasperWA)
• Update dependencies #392 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v1.1.0

Use Groups to serve curated data

You can now use an AiiDA Group to serve the data you desire, i.e., a subset of all structure data within a single AiiDA database.

Furthermore, the code base has been updated with more developer-friendly formatting tools (isort and a YAML formatter).

Changelog

v1.1.0 (2022-10-11)

Full Changelog

Implemented enhancements:

• [MCLOUD] Allow for data curation #237

Merged pull requests:

• Using reorder importers and yaml fmt pre-commit hook #388 (unkcpz)
• Update dependencies #387 (CasperWA)
• Update dependencies #385 (CasperWA)
• Data curation with configure parameter query_group #327 (unkcpz)

* This Changelog was automatically generated by github_changelog_generator

v1.0.1

What's Changed

• Update optimade[mongo] requirement from ~=0.18.0 to ~=0.19.2 (#375) by @unkcpz in #383

Full Changelog: v1.0.0...v1.0.1

Changelog

v1.0.1 (2022-09-22)

Full Changelog

Merged pull requests:

• Update optimade[mongo] requirement from ~=0.18.0 to ~=0.19.2 (#375) #383 (unkcpz)

* This Changelog was automatically generated by github_changelog_generator

v1.0.0

AiiDA 2.x support.

What's Changed

• Update readme with how to release by @unkcpz in #374
• Migrate to aiida-core 2.0 by @unkcpz in #331
• Update dependencies by @CasperWA in #378

Full Changelog: v0.20.0...v1.0.0

Changelog

v1.0.0 (2022-09-21)

Full Changelog

Merged pull requests:

• Update dependencies #378 (CasperWA)
• Update readme with how to release #374 (unkcpz)
• Migrate to aiida-core 2.0 #331 (unkcpz)

* This Changelog was automatically generated by github_changelog_generator

v0.20.0

IMPORTANT: This is the last version with aiida-core v1 support

What's Changed

• Update dependencies & use vMAJOR for GH Actions by @CasperWA in #285
• Update optimade[mongo] requirement from ~=0.16.3 to ~=0.16.4 by @dependabot in #286
• Update CI and CD by @CasperWA in #289
• Fix bash variable naming by @CasperWA in #292
• Install requests for auto-merge CI by @CasperWA in #294
• fix skip: 0 case by @eimrek in #373
• Using pytest move route test class to functions, where fixtures can be used to set variables by @unkcpz in #330

New Contributors

• @eimrek made their first contribution in #361
• @unkcpz made their first contribution in #330

Full Changelog: v0.19.0...v0.20.0

Changelog

v0.20.0 (2022-08-12)

Full Changelog

Fixed bugs:

• Missing dependencies in CI auto-merge workflow #293
• Bug in auto-merge CI workflow #291
• [MaterialsCloud] OpenAPI (and all /extensions/*) not available #169

Closed issues:

• Add support to python 3.10 #359
• Update CI/CD to be more automatic #288

Merged pull requests:

• fix skip: 0 case #373 (eimrek)
• Fix/openapi endpoints #361 (eimrek)
• Using pytest move route test class to functions, where fixtures can be used to set variables #330 (unkcpz)
• Install requests for auto-merge CI #294 (CasperWA)
• Fix bash variable naming #292 (CasperWA)
• Update CI and CD #289 (CasperWA)
• Update optimade[mongo] requirement from ~=0.16.3 to ~=0.16.4 #286 (dependabot[bot])
• Update dependencies & use vMAJOR for GH Actions #285 (CasperWA)

* This Changelog was automatically generated by github_changelog_generator

v0.19.0

Updates:

• Moved to the latest optimade, v0.16.3 (#282).
  This introduced extra validations, leading to a fix of the calculation of the chemical_formula_anonymous field.
• Moved to the latest AiiDA version, 1.6.5 (#274).

Developer updates:

• Updated dependencies (#270, #274, #277, #282):
  • pre-commit~=2.15
  • uvicorn~=0.15.0
  • pylint~=2.10
• Update various GH Actions.

v0.18.0

Major updates:

• Dropped Python 3.6 support, added Python 3.9 support (#232).
• Update the AiiDA filter transformer class and entry collections to be compatible with v0.16.0 of optimade (#252).
• Update to AiiDA v1.6 (#232, #236, #252).

Developer updates:

• Several minor code optimizations to use more of the upstream optimade code (#252, #262).
• Several dependency updates (#226, #232, #235, #236, #247, #248, #252).
• Update to full version GH Actions (#243).
• Remove use of CODECOV_TOKEN (#234).

v0.17.0

Major updates:

• Initialize a server with the MongoDB backend with entries from a JSON file (#220).
• Use the latest MongoDB v4 (v4.4) for tests and in docker-compose files (#220).

Developer updates:

• Dependencies updated:
  • optimade (v0.13.3), which uses the latest pydantic (v1.8) version.
  • pymatgen (v2021.3) using semantic versioning to stay in v2021.