pyiron 0.5.2

What's Changed

• Bump pyiron-atomistics from 0.3.6 to 0.3.7 by @dependabot in #1521
• Update pyiron_atomistics to 0.3.8 by @jan-janssen in #1522
• Bump pyiron-atomistics from 0.3.8 to 0.3.10 by @dependabot in #1523
• Bump pyiron-atomistics from 0.3.10 to 0.3.11 by @dependabot in #1524
• Bump pyiron-atomistics from 0.3.11 to 0.4.1 by @dependabot in #1527
• Bump pyiron-atomistics from 0.4.1 to 0.4.4 by @dependabot in #1529
• Delete .github/delete-merged-branch-config.yml by @jan-janssen in #1530
• Update pyiron_atomistics to 0.4.5 by @jan-janssen in #1531

Full Changelog: pyiron-0.5.1...pyiron-0.5.2

pyiron 0.5.1

What's Changed

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

Full Changelog: pyiron-0.5.0...pyiron-0.5.1

pyiron 0.5.0

What's Changed

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

New Contributors

• @jkitchin made their first contribution in #1447

Full Changelog: pyiron-0.4.7...pyiron-0.5.0

pyiron 0.4.7

What's Changed

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

New Contributors

• @tnecnivkcots made their first contribution in #1410

Full Changelog: pyiron-0.4.6...pyiron-0.4.7

pyiron 0.4.6

What's Changed

• Bump pyiron-atomistics from 0.2.23 to 0.2.25 by @dependabot in #1369
• Add backlinks to pyiron_{base,atomistics} by @pmrv in #1371
• Remove CITATION.cff from Mybinder by @jan-janssen in #1373
• Bump pyiron-atomistics from 0.2.25 to 0.2.26 by @dependabot in #1374
• Bump pyiron-atomistics from 0.2.26 to 0.2.27 by @dependabot in #1376
• Bump pyiron-atomistics from 0.2.27 to 0.2.28 by @dependabot in #1377
• Document module purge recommendation by @pmrv in #1375
• Bump pyiron-atomistics from 0.2.28 to 0.2.29 by @dependabot in #1381

Full Changelog: pyiron-0.4.5...pyiron-0.4.6

pyiron 0.4.5

What's Changed

• Bump pyiron-atomistics from 0.2.16 to 0.2.17 by @dependabot in #1349
• Bump pyiron-atomistics from 0.2.17 to 0.2.18 by @dependabot in #1350
• Bump pyiron-atomistics from 0.2.18 to 0.2.19 by @dependabot in #1352
• Bump pyiron-atomistics from 0.2.19 to 0.2.20 by @dependabot in #1354
• Update workflow for dependabot PRs by @niklassiemer in #1356
• Bump pyiron-atomistics from 0.2.20 to 0.2.21 by @dependabot in #1357
• Use mamba to accelerate CI by @jan-janssen in #1358
• Bump pyiron-atomistics from 0.2.21 to 0.2.22 by @dependabot in #1359
• Update to pyiron_atomistics-0.2.23 by @niklassiemer in #1361

Full Changelog: pyiron-0.4.4...pyiron-0.4.5

pyiron 0.4.4

What's Changed

• Bump pyiron-atomistics from 0.2.8 to 0.2.9 by @dependabot-preview in #1325
• Bump pyiron-atomistics from 0.2.9 to 0.2.10 by @dependabot-preview in #1332
• Update the link to the HDF5 website by @zendegani in #1334
• Bump pyiron-atomistics from 0.2.10 to 0.2.11 by @dependabot-preview in #1335
• Upgrade to GitHub-native Dependabot by @dependabot-preview in #1336
• weekly dependency updates by @muh-hassani in #1337
• Bump pyiron-atomistics from 0.2.11 to 0.2.12 by @dependabot in #1340
• Update from master by @jan-janssen in #1344
• Merge environments in separate step by @jan-janssen in #1343
• Bump pyiron-atomistics from 0.2.14 to 0.2.15 by @dependabot in #1346
• Add workflow to update the environment.yml in dependabot PRs by @niklassiemer in #1347
• Atomistics 0.2.16 by @niklassiemer in #1348

New Contributors

• @muh-hassani made their first contribution in #1337

Full Changelog: pyiron-0.4.3...pyiron-0.4.4

pyiron 0.4.3

What's Changed

• Update by @jan-janssen in #1319
• Add contribution guidelines by @jan-janssen in #1317
• Bump pyiron-atomistics from 0.2.6 to 0.2.7 by @dependabot-preview in #1322
• Check pypi status using pip check by @jan-janssen in #1323
• Bump pyiron-atomistics from 0.2.7 to 0.2.8 by @dependabot-preview in #1324

Full Changelog: pyiron-0.4.2...pyiron-0.4.3

pyiron 0.4.2

What's Changed

• Fix structure factory by @jan-janssen in #1318

Full Changelog: pyiron-0.4.1...pyiron-0.4.2

pyiron 0.4.1

What's Changed

• Update Copyright by @jan-janssen in #1291
• Remove code owners by @jan-janssen in #1296
• Have static dependences - prepare for Dependabot by @jan-janssen in #1298
• Bump pyiron-atomistics from 0.2.0 to 0.2.2 by @dependabot-preview in #1299
• Change dependencies before upload by @jan-janssen in #1300
• Remove numpy restriction by @jan-janssen in #1301
• Limit to above Python 3.5 by @jan-janssen in #1309
• Import all modules starting with pyiron_* by @jan-janssen in #1313
• Bump pyiron-atomistics from 0.2.3 to 0.2.4 by @dependabot-preview in #1314
• Bump pyiron-atomistics from 0.2.4 to 0.2.5 by @dependabot-preview in #1315
• CI: use channel-priority: strict by @jan-janssen in #1316

Full Changelog: pyiron-0.4.0...pyiron-0.4.1