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Recent Releases of spglib

spglib - Spglib v2.6.0

What's Changed

Other changes

  • Fix DictInterface deprecation warning missing f-string by @janosh in https://github.com/spglib/spglib/pull/511
  • chore: Fix pre-commit links by @LecrisUT in https://github.com/spglib/spglib/pull/518
  • feat: Package for epel 9 by @LecrisUT in https://github.com/spglib/spglib/pull/394
  • fix: Move the inlined debug definitions to header by @LecrisUT in https://github.com/spglib/spglib/pull/519
  • Take absolute value for calculating nubmer of lattice points by @lan496 in https://github.com/spglib/spglib/pull/517
  • chore: Bump cmake 3.25 by @LecrisUT in https://github.com/spglib/spglib/pull/458
  • Fix references to outdated master branch by @LecrisUT in https://github.com/spglib/spglib/pull/524
  • fix: Remove usage of test.pypi.org by @LecrisUT in https://github.com/spglib/spglib/pull/523
  • Expose spg_get_symmetry_from_database in the Fortran interface by @pcazade in https://github.com/spglib/spglib/pull/530
  • chore: unblock CI by @LecrisUT in https://github.com/spglib/spglib/pull/535
  • Update references to spglib paper by @atztogo in https://github.com/spglib/spglib/pull/534
  • Set stacklevel of DeprecationWarning as 2 by @ktns in https://github.com/spglib/spglib/pull/538
  • ci: Update readthedocs.yaml by @LecrisUT in https://github.com/spglib/spglib/pull/546
  • ci: Use codecov directly by @LecrisUT in https://github.com/spglib/spglib/pull/545
  • Remove ambiguous primal axis symbols by @lan496 in https://github.com/spglib/spglib/pull/543
  • ci: Add linux arm builder for cibuildwheel by @LecrisUT in https://github.com/spglib/spglib/pull/547
  • chore(deps): update ci and devdependencies by @renovate in https://github.com/spglib/spglib/pull/522
  • feat(python): Add type-checking derecated by @LecrisUT in https://github.com/spglib/spglib/pull/499
  • doc: Use autodoc by @LecrisUT in https://github.com/spglib/spglib/pull/466
  • Fix a few issues of Fedora packaing by @LecrisUT in https://github.com/spglib/spglib/pull/527
  • fix: Python installation by @LecrisUT in https://github.com/spglib/spglib/pull/520
  • fix: strict-prototypes by @e-kwsm in https://github.com/spglib/spglib/pull/551
  • fix: Make project PEP639 compatible by @LecrisUT in https://github.com/spglib/spglib/pull/554
  • ci: Packit CI maintenance by @LecrisUT in https://github.com/spglib/spglib/pull/558
  • refactor: Improved python test fixtures by @LecrisUT in https://github.com/spglib/spglib/pull/556
  • chore(deps): update ci and devdependencies by @renovate in https://github.com/spglib/spglib/pull/549
  • fix: Add missing license-files by @LecrisUT in https://github.com/spglib/spglib/pull/561
  • cmake: Simplify install instruction a bit by @LecrisUT in https://github.com/spglib/spglib/pull/555
  • ci: Remove pytest from CMake tests by @LecrisUT in https://github.com/spglib/spglib/pull/557

New Contributors

  • @janosh made their first contribution in https://github.com/spglib/spglib/pull/511
  • @pcazade made their first contribution in https://github.com/spglib/spglib/pull/530
  • @ktns made their first contribution in https://github.com/spglib/spglib/pull/538
  • @renovate made their first contribution in https://github.com/spglib/spglib/pull/522

Full Changelog: https://github.com/spglib/spglib/compare/v2.5.0...v2.6.0

- C
Published by github-actions[bot] 12 months ago

spglib - Spglib v2.5.0

What's Changed

🐞 Bug fixes

  • fix: Remove ref-names from .git_archival.txt by @LecrisUT in https://github.com/spglib/spglib/pull/473 ### Other changes
  • Fix doc API of SpglibSpacegroupType by @Liozou in https://github.com/spglib/spglib/pull/477
  • ci: fix wheel build by @henryiii in https://github.com/spglib/spglib/pull/471
  • Fix potential SEGV in iterativesearchhall_number by @lan496 in https://github.com/spglib/spglib/pull/484
  • Check if primitive symmetry search is passed by @lan496 in https://github.com/spglib/spglib/pull/479
  • fix: rpmlint issues by @LecrisUT in https://github.com/spglib/spglib/pull/487
  • Add get_magnetic_spacegroup_type_from_symmetry and introduce dataclass output in python interface by @lan496 in https://github.com/spglib/spglib/pull/485
  • Add SpglibDataset and SpglibMagneticDataset and dataclass by @lan496 in https://github.com/spglib/spglib/pull/490
  • ci: Maintenance by @LecrisUT in https://github.com/spglib/spglib/pull/495
  • chore: Fix links by @LecrisUT in https://github.com/spglib/spglib/pull/497
  • chore: Bump numpy support by @LecrisUT in https://github.com/spglib/spglib/pull/496
  • Move type aliases outside TYPE_CHECKING and replace deprecated interface usage by @lan496 in https://github.com/spglib/spglib/pull/501
  • badge: vcpkg status by @LecrisUT in https://github.com/spglib/spglib/pull/504
  • Release v2.5.0 by @lan496 in https://github.com/spglib/spglib/pull/505
  • feat: Add renovatebot by @LecrisUT in https://github.com/spglib/spglib/pull/506
  • Update CI dependencies by @LecrisUT in https://github.com/spglib/spglib/pull/507

New Contributors

  • @Liozou made their first contribution in https://github.com/spglib/spglib/pull/477

Full Changelog: https://github.com/spglib/spglib/compare/v2.4.0...v2.5.0

- C
Published by github-actions[bot] over 1 year ago

spglib - Spglib v2.4.0

What's Changed

🎉 New Features

  • feat: Refactor CMake project by @LecrisUT in https://github.com/spglib/spglib/pull/397
  • feat: Switch to importlib.resources by @LecrisUT in https://github.com/spglib/spglib/pull/308
  • feat: Mark C functions as deprecated by @LecrisUT in https://github.com/spglib/spglib/pull/435 ### 🐞 Bug fixes
  • fix: Python installation when running outside skbuild by @LecrisUT in https://github.com/spglib/spglib/pull/335
  • feat: Explicitly mark exported API by @LecrisUT in https://github.com/spglib/spglib/pull/437 ### Other changes
  • ci: Update codecov to v4 by @LecrisUT in https://github.com/spglib/spglib/pull/425
  • ci: Build and inspect the sdist package by @LecrisUT in https://github.com/spglib/spglib/pull/402
  • Raise TypeError for invalid cell by @lan496 in https://github.com/spglib/spglib/pull/420
  • fix: windows export path by @LecrisUT in https://github.com/spglib/spglib/pull/447
  • Update top page of web site and COPYING by @atztogo in https://github.com/spglib/spglib/pull/449
  • fixup! Update top page of web site and COPYING (#449) by @LecrisUT in https://github.com/spglib/spglib/pull/452
  • chore: CMake: tabs -> spaces by @LecrisUT in https://github.com/spglib/spglib/pull/448
  • chore: Make measurerigidrotation static by @atztogo in https://github.com/spglib/spglib/pull/453
  • style: Change a few styles by @LecrisUT in https://github.com/spglib/spglib/pull/438
  • fix: Conventions by @LecrisUT in https://github.com/spglib/spglib/pull/436
  • ci: Test CMake version by @LecrisUT in https://github.com/spglib/spglib/pull/431
  • fix: Debug and warning messages by @LecrisUT in https://github.com/spglib/spglib/pull/457
  • ci: Fix CI builders by @LecrisUT in https://github.com/spglib/spglib/pull/459
  • Release v2.4.0 by @lan496 in https://github.com/spglib/spglib/pull/467

Full Changelog: https://github.com/spglib/spglib/compare/v2.3.1...v2.4.0

- C
Published by github-actions[bot] almost 2 years ago

spglib - Spglib v2.3.1

What's Changed

🐞 Bug fixes

  • fix: Fortran api by @LecrisUT in https://github.com/spglib/spglib/pull/421
  • fix: DynamicVersion by @LecrisUT in https://github.com/spglib/spglib/pull/423
  • fix: Fixup #421 by @LecrisUT in https://github.com/spglib/spglib/pull/427 ### Other changes
  • doc: Add homebrew and spack badges by @LecrisUT in https://github.com/spglib/spglib/pull/408
  • ci: Bump cibuildhweel by @LecrisUT in https://github.com/spglib/spglib/pull/422
  • fix: Windows installation path by @LecrisUT in https://github.com/spglib/spglib/pull/426
  • Release v2.3.1 by @lan496 in https://github.com/spglib/spglib/pull/428

Full Changelog: https://github.com/spglib/spglib/compare/v2.3.0...v2.3.1

- C
Published by github-actions[bot] about 2 years ago

spglib - Spglib v2.3.0

What's Changed

🎉 New Features

  • ci: Add doc-test by @LecrisUT in https://github.com/spglib/spglib/pull/361
  • Dynamic version by @LecrisUT in https://github.com/spglib/spglib/pull/271 ### 🐞 Bug fixes
  • Fix comparison of translation parts in MSG type identification by @lan496 in https://github.com/spglib/spglib/pull/382
  • fix(database): add missing unique axis choices by @site-g in https://github.com/spglib/spglib/pull/378 ### Other changes
  • ci: Fix RTD by @LecrisUT in https://github.com/spglib/spglib/pull/375
  • chore: Post release by @LecrisUT in https://github.com/spglib/spglib/pull/376
  • Drop ASE Atoms-style input by @lan496 in https://github.com/spglib/spglib/pull/386
  • fix #377 (symmetry): fix matrix pattern for layer groups by @site-g in https://github.com/spglib/spglib/pull/379
  • Merge and migrate Python API documents into docstring by @lan496 in https://github.com/spglib/spglib/pull/387
  • Fix quick for autodoc2 render plugin by @lan496 in https://github.com/spglib/spglib/pull/391
  • Replace linter and formatter with ruff and mypy by @lan496 in https://github.com/spglib/spglib/pull/392
  • Use downstream tmt tests by @LecrisUT in https://github.com/spglib/spglib/pull/356
  • ci: Enable testing for Fedora 38 by @LecrisUT in https://github.com/spglib/spglib/pull/393
  • feat: Reorganize Fortran interface by @LecrisUT in https://github.com/spglib/spglib/pull/396
  • ci: Reorganize CI by @LecrisUT in https://github.com/spglib/spglib/pull/362
  • fix: RTD build by @LecrisUT in https://github.com/spglib/spglib/pull/401
  • Release v2.3.0 by @lan496 in https://github.com/spglib/spglib/pull/404

Full Changelog: https://github.com/spglib/spglib/compare/v2.2.0...v2.3.0

- C
Published by github-actions[bot] about 2 years ago

spglib - Spglib v2.2.0

What's Changed

🛠 Breaking Changes

  • fix #155 refactor(database): standardize Hall symbols by @site-g in https://github.com/spglib/spglib/pull/317 ### 🎉 New Features
  • Increase max attempts for reduced cells by @atztogo in https://github.com/spglib/spglib/pull/339 ### 🐞 Bug fixes
  • fix: windows-ci by @LecrisUT in https://github.com/spglib/spglib/pull/358
  • fix: Fortran pkg-config file by @LecrisUT in https://github.com/spglib/spglib/pull/357 ### 📔 Documentation
  • Improve release documentaiton by @LecrisUT in https://github.com/spglib/spglib/pull/257 ### Other changes
  • Clarify definition of primitive_lattice for MSG by @lan496 in https://github.com/spglib/spglib/pull/332
  • Add magnetic dataset support in Fortran by @atztogo in https://github.com/spglib/spglib/pull/333
  • Add Fortran interface and Fortran interface tests by @atztogo in https://github.com/spglib/spglib/pull/337
  • Add "Julia interface" to interface.md by @singularitti in https://github.com/spglib/spglib/pull/340
  • Fix BNS number in API example by @lan496 in https://github.com/spglib/spglib/pull/343
  • Tests for noncollinear case and spggetsymmetrywithsite_tensors of fortran interface by @atztogo in https://github.com/spglib/spglib/pull/342
  • Minor simplification of trim_cell by @atztogo in https://github.com/spglib/spglib/pull/347
  • Check pointer to magnetic dataset before free by @lan496 in https://github.com/spglib/spglib/pull/349
  • Fix example wrong results in definition.md by @singularitti in https://github.com/spglib/spglib/pull/355
  • Fix typo for arithmetic crystal class 6/mmmP by @lan496 in https://github.com/spglib/spglib/pull/360
  • Minor update of variable.md by @atztogo in https://github.com/spglib/spglib/pull/369
  • Fix arithmetic crystal class for -6m2P and -62mP by @lan496 in https://github.com/spglib/spglib/pull/367
  • fix: Julia packaging issues by @LecrisUT in https://github.com/spglib/spglib/pull/341
  • Fix order of primitive basis for getmagneticsymmetry by @lan496 in https://github.com/spglib/spglib/pull/371
  • Release v2.2.0 by @lan496 in https://github.com/spglib/spglib/pull/372

New Contributors

  • @singularitti made their first contribution in https://github.com/spglib/spglib/pull/340

Full Changelog: https://github.com/spglib/spglib/compare/v2.1.0...v2.2.0

- C
Published by github-actions[bot] about 2 years ago

spglib - Spglib v2.1.0

What's Changed

🛠 Breaking Changes

  • Fortran spg get symmetry with site tensors by @atztogo in https://github.com/spglib/spglib/pull/216 ### 🎉 New Features
  • Add setup.cfg for python interface by @atztogo in https://github.com/spglib/spglib/pull/203
  • Add layer group python interface by @mikaelkuisma1 in https://github.com/spglib/spglib/pull/201
  • Improve cmake build by @LecrisUT in https://github.com/spglib/spglib/pull/210
  • Move to pyproject.toml build by @LecrisUT in https://github.com/spglib/spglib/pull/218
  • Add fortran tests and clean cmake by @LecrisUT in https://github.com/spglib/spglib/pull/226
  • Add fortran interface test by @atztogo in https://github.com/spglib/spglib/pull/230
  • Cmake refactoring by @LecrisUT in https://github.com/spglib/spglib/pull/233
  • Readthedocs by @LecrisUT in https://github.com/spglib/spglib/pull/245
  • Include an autoreleaser by @LecrisUT in https://github.com/spglib/spglib/pull/254
  • Add rpm spec file by @LecrisUT in https://github.com/spglib/spglib/pull/266
  • Change SPGCONST to const by @LecrisUT in https://github.com/spglib/spglib/pull/258
  • Initial refactor for layer group implementation by @lan496 in https://github.com/spglib/spglib/pull/288
  • tests: Refactor testing framework by @LecrisUT in https://github.com/spglib/spglib/pull/300 ### 🐞 Bug fixes
  • Fix a bug in layer groups. by @mikaelkuisma1 in https://github.com/spglib/spglib/pull/199
  • fix(layergroup): fix unique axis of monocli system by @site-g in https://github.com/spglib/spglib/pull/209
  • Validate type of MSG by @lan496 in https://github.com/spglib/spglib/pull/267
  • Fix codecov package dependency by @LecrisUT in https://github.com/spglib/spglib/pull/270
  • Ensure thread-safety by @LecrisUT in https://github.com/spglib/spglib/pull/284
  • Various fixes by @LecrisUT in https://github.com/spglib/spglib/pull/315 ### 📔 Documentation
  • Update examples in C and Fortran by @atztogo in https://github.com/spglib/spglib/pull/242
  • Update documentation link by @LecrisUT in https://github.com/spglib/spglib/pull/253
  • Clean up and documentation fix by @LecrisUT in https://github.com/spglib/spglib/pull/246 ### Other changes
  • Add benchmark for get_symmetry_dataset by @lan496 in https://github.com/spglib/spglib/pull/207
  • Temporary fix for scikit-build on macs by @LecrisUT in https://github.com/spglib/spglib/pull/214
  • Fix pre-commit by @LecrisUT in https://github.com/spglib/spglib/pull/215
  • Sync pyproject.toml build in rc branch to develop by @lan496 in https://github.com/spglib/spglib/pull/219
  • Rename periodicnigglireduce to nigglireduceperiodic by @atztogo in https://github.com/spglib/spglib/pull/223
  • Quick fix: Fix fortran cmake target by @LecrisUT in https://github.com/spglib/spglib/pull/227
  • Minor fix of pyproject.toml by @atztogo in https://github.com/spglib/spglib/pull/229
  • Add more fortran wrapper tests by @atztogo in https://github.com/spglib/spglib/pull/232
  • Improvre pre-commit and github action by @LecrisUT in https://github.com/spglib/spglib/pull/241
  • Use tag format for PyPi action by @LecrisUT in https://github.com/spglib/spglib/pull/250
  • Clarify non-collinear magmoms in Python interface by @lan496 in https://github.com/spglib/spglib/pull/265
  • Refactor python optional dependencies by @LecrisUT in https://github.com/spglib/spglib/pull/268
  • Fix #191 again by @LecrisUT in https://github.com/spglib/spglib/pull/260
  • Python: fix packaging by @henryiii in https://github.com/spglib/spglib/pull/269
  • [Temp] Disable intel toolchain by @LecrisUT in https://github.com/spglib/spglib/pull/274
  • Fedora packaging maintainence by @LecrisUT in https://github.com/spglib/spglib/pull/272
  • Change PyPI publishing to Trusted publishing by @LecrisUT in https://github.com/spglib/spglib/pull/275
  • Fix message and remove redundant lines by @lan496 in https://github.com/spglib/spglib/pull/281
  • Document behavior for type-II magnetic crystal structure by @lan496 in https://github.com/spglib/spglib/pull/283
  • fix: Hotfix Fedora CI by @LecrisUT in https://github.com/spglib/spglib/pull/280
  • ci: Use container with pre-installed toolchains by @LecrisUT in https://github.com/spglib/spglib/pull/285
  • Various cmake cleanups by @LecrisUT in https://github.com/spglib/spglib/pull/279
  • Revive compiler warnings by @lan496 in https://github.com/spglib/spglib/pull/278
  • ci: Silence codecov until all coverage tests are uploaded by @LecrisUT in https://github.com/spglib/spglib/pull/294
  • Silence C warning "arrays with different qualifiers" by @LecrisUT in https://github.com/spglib/spglib/pull/302
  • ci: Add concurrency to GH actions by @LecrisUT in https://github.com/spglib/spglib/pull/306
  • Refactor debug-warning rules by @LecrisUT in https://github.com/spglib/spglib/pull/293
  • ci: Switch to native pip instead of conda by @LecrisUT in https://github.com/spglib/spglib/pull/307
  • Set C standard to C11 by @LecrisUT in https://github.com/spglib/spglib/pull/304
  • Add pytests to ctest by @LecrisUT in https://github.com/spglib/spglib/pull/309
  • Add windows and macos CI by @LecrisUT in https://github.com/spglib/spglib/pull/286
  • Refactor Github CI by @LecrisUT in https://github.com/spglib/spglib/pull/287
  • Fix python 3.12 CI by @LecrisUT in https://github.com/spglib/spglib/pull/319
  • Fix target branch for packit by @LecrisUT in https://github.com/spglib/spglib/pull/320
  • Fix: build wheel workflow by @LecrisUT in https://github.com/spglib/spglib/pull/321
  • Add citation info by @lan496 in https://github.com/spglib/spglib/pull/322
  • Release v2.1.0 by @lan496 in https://github.com/spglib/spglib/pull/324

New Contributors

  • @mikaelkuisma1 made their first contribution in https://github.com/spglib/spglib/pull/199
  • @LecrisUT made their first contribution in https://github.com/spglib/spglib/pull/210
  • @henryiii made their first contribution in https://github.com/spglib/spglib/pull/269

Full Changelog: https://github.com/spglib/spglib/compare/v2.0.2...v2.1.0

- C
Published by github-actions[bot] over 2 years ago

spglib - Conda-forge package release

Release to mirror pypi release

- C
Published by jochym about 7 years ago

spglib - Conda package release

This release is created to force update to the conda-forge build system. No other changes are done. The updated conda packages provide libsymspg in addition to python modules and are build directly from github releases.

- C
Published by jochym over 7 years ago