Pyiron

Latest version: v0.5.2

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0.5.2

What's Changed
* Bump pyiron-atomistics from 0.3.6 to 0.3.7 by dependabot in https://github.com/pyiron/pyiron/pull/1521
* Update pyiron_atomistics to 0.3.8 by jan-janssen in https://github.com/pyiron/pyiron/pull/1522
* Bump pyiron-atomistics from 0.3.8 to 0.3.10 by dependabot in https://github.com/pyiron/pyiron/pull/1523
* Bump pyiron-atomistics from 0.3.10 to 0.3.11 by dependabot in https://github.com/pyiron/pyiron/pull/1524
* Bump pyiron-atomistics from 0.3.11 to 0.4.1 by dependabot in https://github.com/pyiron/pyiron/pull/1527
* Bump pyiron-atomistics from 0.4.1 to 0.4.4 by dependabot in https://github.com/pyiron/pyiron/pull/1529
* Delete .github/delete-merged-branch-config.yml by jan-janssen in https://github.com/pyiron/pyiron/pull/1530
* Update pyiron_atomistics to 0.4.5 by jan-janssen in https://github.com/pyiron/pyiron/pull/1531


**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.5.1...pyiron-0.5.2

0.5.1

What's Changed
* Fix queue.yaml example and refer to pysqa documentation. by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1498
* fix link to pysqa by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1499
* Remove pypi support for python versions not allowed by conda by liamhuber in https://github.com/pyiron/pyiron/pull/1500
* Bump pyiron-atomistics from 0.3.0 to 0.3.1 by dependabot in https://github.com/pyiron/pyiron/pull/1504
* Bump pyiron-atomistics from 0.3.1 to 0.3.2 by dependabot in https://github.com/pyiron/pyiron/pull/1506
* Update installation.rst by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1507
* Bump pyiron-atomistics from 0.3.2 to 0.3.3 by dependabot in https://github.com/pyiron/pyiron/pull/1510
* versioneer update to 0.29 by jan-janssen in https://github.com/pyiron/pyiron/pull/1511
* Use sphinx-rtd-theme by jan-janssen in https://github.com/pyiron/pyiron/pull/1513
* Fix Github action by jan-janssen in https://github.com/pyiron/pyiron/pull/1515
* Bump pyiron-atomistics from 0.3.4 to 0.3.5 by dependabot in https://github.com/pyiron/pyiron/pull/1514
* Versioning and api by liamhuber in https://github.com/pyiron/pyiron/pull/1508
* Update pyiron_atomistics to 0.3.6 by jan-janssen in https://github.com/pyiron/pyiron/pull/1519
* Use trusted publisher action by jan-janssen in https://github.com/pyiron/pyiron/pull/1518


**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.5.0...pyiron-0.5.1

0.5.0

What's Changed
* Bump pyiron-atomistics from 0.2.58 to 0.2.59 by dependabot in https://github.com/pyiron/pyiron/pull/1437
* Bump pyiron-atomistics from 0.2.59 to 0.2.60 by dependabot in https://github.com/pyiron/pyiron/pull/1439
* Rename master to main by jan-janssen in https://github.com/pyiron/pyiron/pull/1440
* Bump pyiron-atomistics from 0.2.60 to 0.2.61 by dependabot in https://github.com/pyiron/pyiron/pull/1441
* Update phonopy_example.ipynb by jan-janssen in https://github.com/pyiron/pyiron/pull/1442
* Update pyiron_atomistics 0.2.62 by jan-janssen in https://github.com/pyiron/pyiron/pull/1451
* Restrict Sphinx version by jan-janssen in https://github.com/pyiron/pyiron/pull/1452
* Merge with main by jan-janssen in https://github.com/pyiron/pyiron/pull/1453
* Update docker run commands by jan-janssen in https://github.com/pyiron/pyiron/pull/1445
* Fix conda bug - not resolving environment by jan-janssen in https://github.com/pyiron/pyiron/pull/1456
* Merge with master by jan-janssen in https://github.com/pyiron/pyiron/pull/1457
* Update citation.rst by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1455
* Add notebook showing how to setup an EMT job and use it with pyiron by jkitchin in https://github.com/pyiron/pyiron/pull/1447
* Bump pyiron-atomistics from 0.2.62 to 0.2.63 by dependabot in https://github.com/pyiron/pyiron/pull/1460
* quickstart installation by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1468
* website appearance of new install instructions by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1471
* Fix_code_indenting_install by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1472
* More_fixes_website by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1473
* Remote_install_instructions by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1474
* Doc_fixes by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1475
* broken :code: formatting in docs by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1476
* remove two new installation pages from menu by jan-janssen in https://github.com/pyiron/pyiron/pull/1478
* Update energy-volume curve tutorial by samwaseda in https://github.com/pyiron/pyiron/pull/1479
* Bump pyiron-atomistics from 0.2.66 to 0.2.67 by dependabot in https://github.com/pyiron/pyiron/pull/1482
* install changes p1 by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1483
* small fixes by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1484
* fix submenus properly by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1485
* Remove duplicate install section by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1486
* Revert "Remove duplicate install section" by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1487
* fix menu by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1488
* Revert "fix menu" by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1489
* Revert "fix submenus properly" by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1490
* Revert "small fixes" by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1491
* Fix submenu by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1492
* remove osx mention of GPAW by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1493
* Revert "remove osx mention of GPAW" by ligerzero-ai in https://github.com/pyiron/pyiron/pull/1494
* Use intermediate PR_TITLE variable to secure workflow by niklassiemer in https://github.com/pyiron/pyiron/pull/1496
* Update pyiron_atomistics to 0.3.0 by jan-janssen in https://github.com/pyiron/pyiron/pull/1497

New Contributors
* jkitchin made their first contribution in https://github.com/pyiron/pyiron/pull/1447

**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.4.7...pyiron-0.5.0

0.4.7

What's Changed
* Update to Python 3.10 by jan-janssen in https://github.com/pyiron/pyiron/pull/1383
* Bump pyiron-atomistics from 0.2.30 to 0.2.31 by dependabot in https://github.com/pyiron/pyiron/pull/1385
* Bump pyiron-atomistics from 0.2.31 to 0.2.32 by dependabot in https://github.com/pyiron/pyiron/pull/1387
* Bump pyiron-atomistics from 0.2.32 to 0.2.33 by dependabot in https://github.com/pyiron/pyiron/pull/1388
* Bump pyiron-atomistics from 0.2.33 to 0.2.34 by dependabot in https://github.com/pyiron/pyiron/pull/1391
* Bump pyiron-atomistics from 0.2.34 to 0.2.35 by dependabot in https://github.com/pyiron/pyiron/pull/1392
* Update Readthedocs by jan-janssen in https://github.com/pyiron/pyiron/pull/1394
* Bump pyiron-atomistics from 0.2.35 to 0.2.37 by dependabot in https://github.com/pyiron/pyiron/pull/1397
* Bump pyiron-atomistics from 0.2.39 to 0.2.40 by dependabot in https://github.com/pyiron/pyiron/pull/1404
* Bump pyiron-atomistics from 0.2.40 to 0.2.43 by dependabot in https://github.com/pyiron/pyiron/pull/1411
* Bump pyiron-atomistics from 0.2.43 to 0.2.44 by dependabot in https://github.com/pyiron/pyiron/pull/1413
* Bump pyiron-atomistics from 0.2.44 to 0.2.45 by dependabot in https://github.com/pyiron/pyiron/pull/1414
* [ci skip] update documentation - contribution guidelines compared to pyiron_base by tnecnivkcots in https://github.com/pyiron/pyiron/pull/1410
* [ci skip] Update contribution guidelines by tnecnivkcots in https://github.com/pyiron/pyiron/pull/1415
* [ci skip] Update CONTRIBUTING.rst by tnecnivkcots in https://github.com/pyiron/pyiron/pull/1416
* Update postBuild - for pyiron in binder by tnecnivkcots in https://github.com/pyiron/pyiron/pull/1418
* Bump pyiron-atomistics from 0.2.45 to 0.2.48 by dependabot in https://github.com/pyiron/pyiron/pull/1423
* Bump pyiron-atomistics from 0.2.48 to 0.2.49 by dependabot in https://github.com/pyiron/pyiron/pull/1424
* Bump pyiron-atomistics from 0.2.49 to 0.2.51 by dependabot in https://github.com/pyiron/pyiron/pull/1426
* Bump pyiron-atomistics from 0.2.51 to 0.2.57 by dependabot in https://github.com/pyiron/pyiron/pull/1430
* Bump pyiron-atomistics from 0.2.57 to 0.2.58 by dependabot in https://github.com/pyiron/pyiron/pull/1434
* Remove phonopy restriction by jan-janssen in https://github.com/pyiron/pyiron/pull/1435

New Contributors
* tnecnivkcots made their first contribution in https://github.com/pyiron/pyiron/pull/1410

**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.4.6...pyiron-0.4.7

0.4.6

What's Changed
* Bump pyiron-atomistics from 0.2.23 to 0.2.25 by dependabot in https://github.com/pyiron/pyiron/pull/1369
* Add backlinks to pyiron_{base,atomistics} by pmrv in https://github.com/pyiron/pyiron/pull/1371
* Remove CITATION.cff from Mybinder by jan-janssen in https://github.com/pyiron/pyiron/pull/1373
* Bump pyiron-atomistics from 0.2.25 to 0.2.26 by dependabot in https://github.com/pyiron/pyiron/pull/1374
* Bump pyiron-atomistics from 0.2.26 to 0.2.27 by dependabot in https://github.com/pyiron/pyiron/pull/1376
* Bump pyiron-atomistics from 0.2.27 to 0.2.28 by dependabot in https://github.com/pyiron/pyiron/pull/1377
* Document module purge recommendation by pmrv in https://github.com/pyiron/pyiron/pull/1375
* Bump pyiron-atomistics from 0.2.28 to 0.2.29 by dependabot in https://github.com/pyiron/pyiron/pull/1381


**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.4.5...pyiron-0.4.6

0.4.5

What's Changed
* Bump pyiron-atomistics from 0.2.16 to 0.2.17 by dependabot in https://github.com/pyiron/pyiron/pull/1349
* Bump pyiron-atomistics from 0.2.17 to 0.2.18 by dependabot in https://github.com/pyiron/pyiron/pull/1350
* Bump pyiron-atomistics from 0.2.18 to 0.2.19 by dependabot in https://github.com/pyiron/pyiron/pull/1352
* Bump pyiron-atomistics from 0.2.19 to 0.2.20 by dependabot in https://github.com/pyiron/pyiron/pull/1354
* Update workflow for dependabot PRs by niklassiemer in https://github.com/pyiron/pyiron/pull/1356
* Bump pyiron-atomistics from 0.2.20 to 0.2.21 by dependabot in https://github.com/pyiron/pyiron/pull/1357
* Use mamba to accelerate CI by jan-janssen in https://github.com/pyiron/pyiron/pull/1358
* Bump pyiron-atomistics from 0.2.21 to 0.2.22 by dependabot in https://github.com/pyiron/pyiron/pull/1359
* Update to pyiron_atomistics-0.2.23 by niklassiemer in https://github.com/pyiron/pyiron/pull/1361


**Full Changelog**: https://github.com/pyiron/pyiron/compare/pyiron-0.4.4...pyiron-0.4.5

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