Custodian

Latest version: v2024.10.16

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2024.2.15

<!-- Release notes generated using configuration in .github/release.yml at v2024.2.15 -->

What's Changed
๐Ÿ› Bug Fixes
* Fix `KspacingMetalHandler` triggering on runs that don't use `KSPACING` by janosh in https://github.com/materialsproject/custodian/pull/298
* Fixed a small issue with the erroneous attribute call on a Structure object in AMIN handler by fyalcin in https://github.com/materialsproject/custodian/pull/297
* Move `TEST_DIR` + `TEST_FILES` from `custodian/__init__.py` to `tests/conftest.py` by janosh in https://github.com/materialsproject/custodian/pull/312
๐Ÿ›  Enhancements
* Rewrite handler tests by janosh in https://github.com/materialsproject/custodian/pull/299
* Fix `AliasingErrorHandlerTest` modifying test files by janosh in https://github.com/materialsproject/custodian/pull/301
* Caching parsed output files by gpetretto in https://github.com/materialsproject/custodian/pull/273
๐Ÿงน House-Keeping
* Move tests to their own root-level directory by janosh in https://github.com/materialsproject/custodian/pull/305
* Refactor test file copying by janosh in https://github.com/materialsproject/custodian/pull/306
* Move `_clear_tracked_cache` fixture by gpetretto in https://github.com/materialsproject/custodian/pull/307
* Don't needlessly inherit from `unittest.TestCase` by janosh in https://github.com/materialsproject/custodian/pull/308
๐Ÿงช Tests
* Add new error handlers, add tests for NonConvergingErrorHandler by esoteric-ephemera in https://github.com/materialsproject/custodian/pull/313
๐Ÿฅ Package Health
* Merge `setup.py` into `pyproject.toml` by janosh in https://github.com/materialsproject/custodian/pull/304
* Fix release CI by janosh in https://github.com/materialsproject/custodian/pull/314
๐Ÿคทโ€โ™‚๏ธ Other Changes
* Add eddiag error handling and fix AMIN error handling in VaspErrorHandler by esoteric-ephemera in https://github.com/materialsproject/custodian/pull/302

New Contributors
* esoteric-ephemera made their first contribution in https://github.com/materialsproject/custodian/pull/302

**Full Changelog**: https://github.com/materialsproject/custodian/compare/v2023.10.9...v2024.2.15

<!-- Release notes generated using configuration in .github/release.yml at v2024.2.15 -->

What's Changed
๐Ÿ› Bug Fixes
* Move `TEST_DIR` + `TEST_FILES` from `custodian/__init__.py` to `tests/conftest.py` by janosh in https://github.com/materialsproject/custodian/pull/312
๐Ÿงช Tests
* Add new error handlers, add tests for NonConvergingErrorHandler by esoteric-ephemera in https://github.com/materialsproject/custodian/pull/313
๐Ÿฅ Package Health
* Fix release CI by janosh in https://github.com/materialsproject/custodian/pull/314


**Full Changelog**: https://github.com/materialsproject/custodian/compare/v2024.1.9...v2024.2.15

2023.10.9

What's Changed
* move `algo_tet` changes from `UnrecoverableError` to `VaspErrorHandler` by janosh in https://github.com/materialsproject/custodian/pull/277
* Add `ruff` linter by janosh in https://github.com/materialsproject/custodian/pull/278
* Delete unused configs by janosh in https://github.com/materialsproject/custodian/pull/279
* Fix broken link in README.md by R1j1t in https://github.com/materialsproject/custodian/pull/281
* Fix `ruff` PERF401 errors by janosh in https://github.com/materialsproject/custodian/pull/282
* Fix AttributeError NoneType has no attribute 'style' by janosh in https://github.com/materialsproject/custodian/pull/283
* Tweak unconverged, bravais and den-/tet error handling by janosh in https://github.com/materialsproject/custodian/pull/284
* Fix `MeshSymmetryErrorHandler` treating `ISYM=-1` as symmetry ON by janosh in https://github.com/materialsproject/custodian/pull/285
* Update arosen93 to Andrew-S-Rosen by Andrew-S-Rosen in https://github.com/materialsproject/custodian/pull/289
* Fix lint errors by janosh in https://github.com/materialsproject/custodian/pull/290
* Minor Q-Chem updates by samblau in https://github.com/materialsproject/custodian/pull/292
* Q-Chem bug fix by samblau in https://github.com/materialsproject/custodian/pull/293
* Delete requirements.txt by Andrew-S-Rosen in https://github.com/materialsproject/custodian/pull/295

New Contributors
* R1j1t made their first contribution in https://github.com/materialsproject/custodian/pull/281

**Full Changelog**: https://github.com/materialsproject/custodian/compare/v2023.7.22...v2023.10.9

2023.7.22

See changes at https://materialsproject.github.io/custodian

2023.6.5

See changes at https://materialsproject.github.io/custodian

2023.5.12

See changes at https://materialsproject.github.io/custodian

2023.5.7

See changes at https://materialsproject.github.io/custodian

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