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Releases: spglib/moyo

moyo v0.15.0

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@github-actions github-actions released this 13 Jul 11:54
e1a47f9

What's Changed

🐞 Bug fixes

  • Fix swapped arithmetic crystal class numbers for space groups 187-190 by @lan496 in #398

renovate

  • chore(deps): update cargo by @renovate[bot] in #393
  • chore(deps): update ci and devdependencies by @renovate[bot] in #392
  • chore(deps): update ci and devdependencies by @renovate[bot] in #394
  • chore(deps): update cargo by @renovate[bot] in #395
  • chore(deps): update ci and devdependencies to v7 by @renovate[bot] in #397
  • chore(deps): update ci and devdependencies to v6 by @renovate[bot] in #396

🧹 Other changes

Full Changelog: v0.14.0...v0.15.0

moyo v0.14.0

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@github-actions github-actions released this 04 Jul 01:48
4798a22

What's Changed

🎉 New Features

  • Replace kiddo ImmutableKdTree with a safe uniform bin-grid neighbor search by @lan496 in #390

📔 Documentation

  • docs: unify interface docs, move standardization to hub, fully local build by @lan496 in #380
  • docs(moyo-wasm): add project page and auto-generated API reference by @lan496 in #381

🤖 CI

  • ci: speed up deploy-web with npm and apt caching by @lan496 in #382
  • ci: drop --release from rust coverage run by @lan496 in #383

renovate

  • chore(deps): update cargo by @renovate[bot] in #385
  • chore(deps): update ci and devdependencies by @renovate[bot] in #384
  • chore(deps): update rust crate itertools to 0.15 by @renovate[bot] in #387
  • chore(deps): update pyo3 ecosystem to 0.29 by @renovate[bot] in #386
  • chore(deps): update ci and devdependencies to v5 by @renovate[bot] in #389
  • chore(deps): update ci and devdependencies by @renovate[bot] in #388

🧹 Other changes

Full Changelog: v0.13.0...v0.14.0

moyo v0.13.0

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@github-actions github-actions released this 28 Jun 01:46
d257011

What's Changed

🎉 New Features

  • fix(symmetrize): prefer non-acute monoclinic angle in standardization by @lan496 in #377
  • feat(symmetrize): order orthorhombic standardized axes a<=b<=c by @lan496 in #378

📔 Documentation

  • docs(moyopy): migrate documentation from Sphinx to Zensical by @lan496 in #371
  • docs(moyoc): add Zensical landing page and distinguish docs colors by @lan496 in #373
  • docs(moyoc): add migration guide from spglib by @lan496 in #374
  • docs(moyoc): autogenerate the Fortran API reference with FORD by @lan496 in #375
  • feat(web): add landing hub at root, move web viewer to /viewer by @lan496 in #376

🤖 CI

  • ci: add moyoc and web-viewer sections to release notes by @lan496 in #367

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🧹 Other changes

Full Changelog: v0.12.0...v0.13.0

moyo v0.12.0

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@github-actions github-actions released this 13 Jun 00:34
178dfa6

What's Changed

🧹 Other changes

  • Rebuild moyoc C bindings with CMake and corrosion by @lan496 in #354
  • Add magnetic dataset C API to moyoc by @lan496 in #355
  • Add layer dataset C API to moyoc by @lan496 in #356
  • Add database operation generators to moyoc by @lan496 in #357
  • Add group-type metadata lookups to moyoc by @lan496 in #358
  • Add Fortran interface to moyoc by @lan496 in #359
  • Add group identification API to moyoc by @lan496 in #360
  • docs: update changelog and tidy interface documentation by @lan496 in #361
  • docs: autogenerate the moyoc C API reference with Doxygen by @lan496 in #363
  • Release v0.12.0 by @lan496 in #364

Full Changelog: v0.11.0...v0.12.0

moyo v0.11.0

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@github-actions github-actions released this 08 Jun 23:36

What's Changed

⚙️ moyo-core

  • feat: add MoyoDataset::normalizer_wyckoff_positions by @lan496 in #351

🤖 CI

  • fix(ci): unify GitHub Pages deploy to avoid root 404 by @lan496 in #340

renovate

  • chore(deps): update ci and devdependencies by @renovate[bot] in #341
  • chore(deps): update actions/upload-pages-artifact action to v4 by @renovate[bot] in #342
  • chore(deps): update cargo by @renovate[bot] in #346
  • chore(deps): update ci and devdependencies by @renovate[bot] in #345
  • chore(deps): update rust crate nalgebra to 0.35 by @renovate[bot] in #348
  • chore(deps): update dependency katex to ^0.17.0 by @renovate[bot] in #347
  • chore(deps): update cargo by @renovate[bot] in #350
  • chore(deps): update ci and devdependencies by @renovate[bot] in #349

🧹 Other changes

  • feat: Wyckoff positions and per-setting view on the space-group page by @lan496 in #343
  • feat: show per-setting Wyckoff positions and operations on layer-group page by @lan496 in #344
  • feat(moyopy): add normalizer_wyckoff_positions binding by @lan496 in #352
  • Release v0.11.0 by @lan496 in #353

Full Changelog: v0.10.0...v0.11.0

moyo v0.10.0

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@github-actions github-actions released this 24 May 05:16
f76a506

What's Changed

🎉 New Features

  • feat: implement Euclidean normalizer of space groups by @lan496 in #326

⚙️ moyo-core

  • refactor: accept det = +/- 1 in UnimodularTransformation::new by @lan496 in #327
  • fix(moyo): iterative tolerance retry for layer-group symmetry search by @lan496 in #337

🧩 moyo-wasm

  • feat(moyo-wasm): space-group data-access wrappers by @lan496 in #331
  • feat(moyo-wasm): layer-group data-access wrappers by @lan496 in #332
  • feat(moyo-wasm): add magnetic-space-group data-access wrappers by @lan496 in #333

🐞 Bug fixes

  • fix(moyo): correct oblique layer-cell standardization for glide groups by @lan496 in #338

📔 Documentation

  • feat(apps/web): crystallographic group viewer SPA (moyo-wasm + Vite + Svelte + Tailwind + KaTeX) by @lan496 in #334
  • feat(apps/web): list data sources on Home page by @lan496 in #336

🤖 CI

  • ci: force cbindgen reinstall in C release build by @lan496 in #321

renovate

  • chore(deps): lock file maintenance by @renovate[bot] in #323
  • chore(deps): update ci and devdependencies by @renovate[bot] in #322
  • chore(deps): lock file maintenance by @renovate[bot] in #325
  • chore(deps): update ci and devdependencies by @renovate[bot] in #324
  • chore(deps): lock file maintenance by @renovate[bot] in #329
  • chore(deps): update ci and devdependencies by @renovate[bot] in #328

🧹 Other changes

  • refactor(data): expose operation lookups from moyo core by @lan496 in #330
  • Release v0.10.0 by @lan496 in #339

Full Changelog: v0.9.0...v0.10.0

moyo v0.9.0

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@github-actions github-actions released this 09 May 04:10
f340a28

What's Changed

⚙️ moyo-core

  • feat(moyo): layer-group M1 - data and math foundations by @lan496 in #303
  • feat(moyo): layer-group M2 - primitive layer symmetry search + LayerCell by @lan496 in #304
  • refactor(moyo): extract orbit / Wyckoff helpers in standardize by @lan496 in #307
  • feat(moyo): MoyoLayerDataset public API (M5 step 1) by @lan496 in #308
  • refactor(moyo): hoist Wyckoff lift + std-transformation composition by @lan496 in #309
  • refactor(moyo): exact c-translation in layer search, remove wyckoff retry by @lan496 in #312
  • refactor(moyo): three-stage layer-group identification by @lan496 in #313

🐍 moyopy

  • chore(moyopy): mark Development Status as Beta by @lan496 in #302
  • docs(moyopy): fix two MyST cross-reference warnings by @lan496 in #315
  • docs(moyopy): add layer-group example for 1H MoS2 monolayer by @lan496 in #316
  • feat(moyopy): add LayerGroupType bindings and operations_from_layer_number by @lan496 in #317

🐞 Bug fixes

  • Fix layer-group identification on real 2D materials + JARVIS dft_2d benchmark by @lan496 in #311

renovate

  • chore(deps): lock file maintenance by @renovate[bot] in #300
  • chore(deps): update ci and devdependencies by @renovate[bot] in #299

🧹 Other changes

  • feat(moyo): layer-group milestone M3 (Hall DB + identification) by @lan496 in #305
  • feat(moyo): layer-group M4 - StandardizedLayerCell + Wyckoff DB by @lan496 in #306
  • feat(moyopy): MoyoLayerDataset + LayerSetting bindings (M5 step 2) by @lan496 in #310
  • refactor(moyo): gather layer modules + share primitive-cell plumbing by @lan496 in #314
  • feat(moyopy): expose LayerGroup type identification by @lan496 in #318
  • docs: mark layer-group identification as supported by @lan496 in #319
  • chore: release v0.9.0 by @lan496 in #320

Full Changelog: v0.8.0...v0.9.0

moyo v0.8.0

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@github-actions github-actions released this 01 May 07:38
bcd57ec

What's Changed

🎉 New Features

  • Add Python binding for integral_normalizer by @lan496 in #256
  • refactor: re-export MoyoError as moyo::Error by @lan496 in #265

⚙️ moyo-core

  • Document bounded integer searches by @lan496 in #255
  • feat: add array accessor methods to core structs by @lan496 in #266
  • feat: add hall_symbol() and arithmetic_crystal_class() to MoyoDataset by @lan496 in #272
  • fix(search): avoid panic in magnetic operation closure check (#295) by @lan496 in #296

🐍 moyopy

  • Add orthorhombic integral normalizer tests by @lan496 in #257
  • Add explicit PyO3 from_py_object opt-in by @lan496 in #258
  • Improve moyopy docs: port Rust docstrings, group API Reference by @lan496 in #294

🤖 CI

  • chore(renovate): enable automerge and tighten config by @lan496 in #287
  • fix(renovate): correct enableManagers -> enabledManagers by @lan496 in #290

renovate

  • chore(deps): update ci and devdependencies by @renovate[bot] in #251
  • chore(deps): update actions/checkout action to v5 by @renovate[bot] in #252
  • chore(deps): update actions/checkout action to v6 by @renovate[bot] in #253
  • chore(deps): update actions/download-artifact action to v8 by @renovate[bot] in #254
  • chore(deps): update cargo by @renovate[bot] in #261
  • chore(deps): update ci and devdependencies by @renovate[bot] in #262
  • chore(deps): update ci and devdependencies by @renovate[bot] in #268
  • chore(deps): update cargo by @renovate[bot] in #269
  • chore(deps): update actions/upload-artifact action to v7 by @renovate[bot] in #270
  • chore(deps): update dorny/paths-filter action to v4 by @renovate[bot] in #271
  • chore(deps): update cargo by @renovate[bot] in #273
  • chore(deps): update ci and devdependencies by @renovate[bot] in #274
  • chore(deps): update cargo by @renovate[bot] in #275
  • chore(deps): update j178/prek-action action to v2 by @renovate[bot] in #278
  • chore(deps): update codecov/codecov-action action to v6 by @renovate[bot] in #277
  • chore(deps): update ci and devdependencies by @renovate[bot] in #276
  • chore(deps): update cargo by @renovate[bot] in #279
  • chore(deps): update ci and devdependencies by @renovate[bot] in #280
  • chore(deps): update cargo by @renovate[bot] in #281
  • chore(deps): update ci and devdependencies by @renovate[bot] in #282
  • chore(deps): update pre-commit hook astral-sh/ruff-pre-commit to v0.15.12 by @renovate[bot] in #283
  • chore(deps): update astral-sh/setup-uv action to v8 by @renovate[bot] in #284
  • chore(deps): lock file maintenance by @renovate[bot] in #286
  • chore(deps): update softprops/action-gh-release action to v3 by @renovate[bot] in #285
  • chore(deps): lock file maintenance by @renovate[bot] in #292
  • chore(deps): pin dependencies by @renovate[bot] in #291
  • chore(deps): lock file maintenance by @renovate[bot] in #293

🧹 Other changes

Full Changelog: v0.7.9...v0.8.0

moyo v0.7.9

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@github-actions github-actions released this 04 Mar 03:08

What's Changed

🤖 CI

  • fix: restore missing Linux x86_64 wheel in release build by @lan496 in #249

Full Changelog: v0.7.8...v0.7.9

moyo v0.7.8

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@github-actions github-actions released this 03 Mar 09:45

What's Changed

renovate

  • chore(deps): update rust crate criterion to v0.8.2 by @renovate[bot] in #236
  • chore(deps): update ci and devdependencies by @renovate[bot] in #237
  • chore(deps): update rust crate env_logger to v0.11.9 by @renovate[bot] in #239
  • chore(deps): update ci and devdependencies by @renovate[bot] in #238
  • chore(deps): update cargo by @renovate[bot] in #240
  • chore(deps): update ci and devdependencies by @renovate[bot] in #241
  • chore(deps): update pyo3 ecosystem to 0.28 by @renovate[bot] in #243
  • chore(deps): update strum monorepo to 0.28 by @renovate[bot] in #245
  • chore(deps): update rust crate rand to 0.10 by @renovate[bot] in #244

🧹 Other changes

  • ci: add Python 3.14 support to moyopy by @lan496 in #247

Full Changelog: v0.7.7...v0.7.8