pyiron_contrib-0.1.18

What's Changed

• Bump pyiron-atomistics from 0.6.0 to 0.6.1 by @dependabot in #1078
• Bump boto3 from 1.34.117 to 1.34.122 by @dependabot in #1079
• Add intermixer by @samwaseda in #1101
• VaspFactory: Allow to customize potcars by @pmrv in #1112
• Bump scikit-image from 0.22.0 to 0.24.0 by @dependabot in #1088
• Bump pyiron-base from 0.9.0 to 0.9.10 by @dependabot in #1109
• Bump h5io-browser from 0.0.12 to 0.0.17 by @dependabot in #1113
• Bump pyiron-snippets from 0.1.1 to 0.1.3 by @dependabot in #1107
• Bump pyiron-atomistics from 0.6.1 to 0.6.9 by @dependabot in #1114
• Bump base/atomistics/pymatgen together by @pmrv in #1119
• Bump distributed from 2024.5.2 to 2024.7.1 by @dependabot in #1104
• Bump boto3 from 1.34.122 to 1.34.152 by @dependabot in #1120
• Update lammps notebook by @pmrv in #1121
• Bump matplotlib from 3.8.3 to 3.9.1 by @dependabot in #1100
• Fix and Features for the HandyMan by @pmrv in #1118

Full Changelog: pyiron_contrib-0.1.17...pyiron_contrib-0.1.18

pyiron_contrib-0.1.17

What's Changed

Use pyiron_snippets

• [patch] use ImportAlarm from pyiron_snippets by @liamhuber in #1066
• [patch] use deprecate from pyiron_snippets by @liamhuber in #1067
• [patch] replace logger with snippets version by @liamhuber in #1073

Features

• Add ElasticTensor by @jan-janssen in #1040
• Update import paths in elastic test by @pmrv in #1075
• Reformat HandyMan by @pmrv in #1038

Version Bumps

• Bump base, atomistics and h5io by @pmrv in #1025
• Bump pympipool from 0.7.13 to 0.7.17 by @dependabot in #1010
• Bump boto3 from 1.34.69 to 1.34.79 by @dependabot in #1027
• Bump distributed from 2024.3.1 to 2024.4.1 by @dependabot in #1028
• Bump moto from 5.0.4 to 5.0.5 by @dependabot in #1031
• Bump pyiron-atomistics from 0.5.0 to 0.5.1 by @dependabot in #1032
• Bump boto3 from 1.34.79 to 1.34.93 by @dependabot in #1046
• Bump distributed from 2024.4.1 to 2024.4.2 by @dependabot in #1044
• Bump pyiron-atomistics from 0.5.1 to 0.5.3 by @dependabot in #1047
• Bump moto from 5.0.5 to 5.0.6 by @dependabot in #1048
• Bump pyiron-atomistics from 0.5.3 to 0.5.4 by @dependabot in #1053
• Bump distributed from 2024.4.2 to 2024.5.0 by @dependabot in #1052
• Bump boto3 from 1.34.93 to 1.34.103 by @dependabot in #1055
• Bump moto from 5.0.6 to 5.0.7 by @dependabot in #1057
• Bump moto from 5.0.7 to 5.0.8 by @dependabot in #1065
• Bump distributed from 2024.5.0 to 2024.5.1 by @dependabot in #1060
• Bump pyiron-base from 0.8 to 0.8.4 by @dependabot in #1054
• Bump boto3 from 1.34.103 to 1.34.117 by @dependabot in #1069
• Bump h5io-browser from 0.0.10 to 0.0.12 by @dependabot in #1039
• Bump moto from 5.0.8 to 5.0.9 by @dependabot in #1072
• Bump distributed from 2024.5.1 to 2024.5.2 by @dependabot in #1070
• Bump ase from 3.22.1 to 3.23.0 by @dependabot in #1071
• Update pympipool to 0.8.4 by @jan-janssen in #1076

Full Changelog: pyiron_contrib-0.1.16...pyiron_contrib-0.1.17

pyiron_contrib-0.1.16

This released moved all machine learning potential related job classes pyiron_potentialfit. Existing projects maybe converted by using the Project maintenance methods implemented in pyiron_base. Beware that this can take a significant amount of time when converting a large number of jobs. You can speed this up a lot by specifying which job type to look for when calling the maintenance functions. For example to update all Mlip jobs you may call

pr = Project(...)
pr.maintenance.local.update_hdf_types(hamilton='Mlip')

What's Changed

• Remove potential fitting jobs by @pmrv in #995
• Bump boto3 from 1.34.39 to 1.34.44 by @dependabot in #999
• Bump pyiron-atomistics from 0.4.15 to 0.4.17 by @dependabot in #1005
• Bump boto3 from 1.34.44 to 1.34.49 by @dependabot in #1006
• Bump pyiron-base from 0.7.8 to 0.7.9 by @dependabot in #1004
• Bump matplotlib from 3.8.2 to 3.8.3 by @dependabot in #997
• [patch] Target a particular tag of the actions repo by @liamhuber in #1008
• Bump boto3 from 1.34.49 to 1.34.69 by @dependabot in #1019
• Bump pyparsing from 3.1.1 to 3.1.2 by @dependabot in #1014
• Bump distributed from 2024.2.0 to 2024.3.1 by @dependabot in #1016
• Add the HandyMan by @pmrv in #1002
• Bump moto from 5.0.1 to 5.0.4 by @dependabot in #1021

Full Changelog: pyiron_contrib-0.1.15...pyiron_contrib-0.1.16

pyiron_contrib-0.1.15

A plethora of dependency updates

What's Changed

• Bump boto3 from 1.34.11 to 1.34.34 by @dependabot in #980
• Bump h5io-browser from 0.0.6 to 0.0.7 by @dependabot in #982
• Bump pyiron-base from 0.7.2 to 0.7.3 by @dependabot in #986
• Bump pyiron-atomistics from 0.4.11 to 0.4.12 by @dependabot in #987
• Bump pympipool from 0.7.9 to 0.7.11 by @dependabot in #984
• Switch from mock_s3 to mock_aws by @jan-janssen in #988
• Bump moto from 4.2.13 to 5.0.1 by @dependabot in #985
• Update pyiron_base to 0.7.4 and pyiron_atomistics to 0.4.13 by @jan-janssen in #989
• Bump boto3 from 1.34.34 to 1.34.39 by @dependabot in #991
• Bump distributed from 2024.1.1 to 2024.2.0 by @dependabot in #992
• Bump numpy from 1.26.3 to 1.26.4 by @dependabot in #990
• Bump base, atomistics, and h5io_browser by @liamhuber in #996

Full Changelog: pyiron_contrib-0.1.14...pyiron_contrib-0.1.15

pyiron_contrib-0.1.14

What's Changed

• unify to max iter by @Leimeroth in #857
• Tinybase: Rework storage interface by @pmrv in #738
• Bump scipy from 1.11.1 to 1.11.2 by @dependabot in #825
• versioneer update to 0.29 by @jan-janssen in #880
• merge main by @jan-janssen in #882
• Bump pyparsing from 3.0.9 to 3.1.1 by @dependabot in #810
• Remove nofiles classes by @jan-janssen in #873
• Bump boto3 from 1.28.60 to 1.28.62 by @dependabot in #881
• Remove code now living in pyiron_worklfow by @liamhuber in #883
• Bump pyiron-base from 0.6.7 to 0.6.8 by @dependabot in #893
• Bump moto from 4.2.5 to 4.2.6 by @dependabot in #891
• Bump distributed from 2023.9.3 to 2023.10.0 by @dependabot in #892
• Bump scikit-image from 0.21.0 to 0.22.0 by @dependabot in #884
• Bump boto3 from 1.28.62 to 1.28.69 by @dependabot in #895
• Bump moto from 4.2.6 to 4.2.7 by @dependabot in #900
• Bump distributed from 2023.10.0 to 2023.10.1 by @dependabot in #899
• Bump boto3 from 1.28.69 to 1.28.73 by @dependabot in #898
• add randomization of parameters by @Leimeroth in #901
• Bump boto3 from 1.28.73 to 1.28.78 by @dependabot in #904
• Bump pympipool from 0.7.1 to 0.7.2 by @dependabot in #903
• Bump matplotlib from 3.8.0 to 3.8.1 by @dependabot in #902
• add tight layout by @Leimeroth in #905
• correct direction and pass dx by @samwaseda in #897
• Fix to_TrainingStorage function of Atomicrex interface by @Leimeroth in #919
• Update mean-field model by @raynol-dsouza in #911
• Combine conda updates by @jan-janssen in #922
• Bump boto3 from 1.28.78 to 1.29.6 by @dependabot in #921
• Bump numpy from 1.26.0 to 1.26.2 by @dependabot in #906
• Bump scipy from 1.11.3 to 1.11.4 by @dependabot in #917
• Bump pympipool from 0.7.5 to 0.7.6 by @dependabot in #923
• Bump moto from 4.2.9 to 4.2.10 by @dependabot in #924
• Bump boto3 from 1.29.6 to 1.29.7 by @dependabot in #925
• Add generic job factories by @pmrv in #896
• Bump pyiron-base from 0.6.9 to 0.6.11 by @dependabot in #929
• Bump pyiron-atomistics from 0.3.7 to 0.3.10 by @dependabot in #932
• Bump moto from 4.2.10 to 4.2.11 by @dependabot in #927
• Bump pympipool from 0.7.6 to 0.7.9 by @dependabot in #931
• Bump boto3 from 1.29.7 to 1.33.6 by @dependabot in #930
• Bump distributed from 2023.11.0 to 2023.12.0 by @dependabot in #928
• Bump pyiron_base to 0.6.12 by @pmrv in #934
• Bump boto3 from 1.33.6 to 1.33.11 by @dependabot in #935
• replace linear regression by ridge regression by @samwaseda in #933
• Bump pyiron-base from 0.6.12 to 0.6.13 by @dependabot in #937
• Bump moto from 4.2.11 to 4.2.12 by @dependabot in #939
• Bump distributed from 2023.12.0 to 2023.12.1 by @dependabot in #940
• Bump boto3 from 1.33.11 to 1.34.3 by @dependabot in #941
• Bump boto3 from 1.34.3 to 1.34.7 by @dependabot in #942
• Bump pyiron-atomistics from 0.3.12 to 0.4.1 by @dependabot in #944
• Bump boto3 from 1.34.7 to 1.34.11 by @dependabot in #945
• Bump seaborn from 0.13.0 to 0.13.1 by @dependabot in #947
• Remove TrainingContainer.to_dict(), because GenericJob now defines th… by @pmrv in #951
• Bump base and atomistics together by @pmrv in #950
• Bump moto from 4.2.12 to 4.2.13 by @dependabot in #953
• Lpatch tinydata by @liamhuber in #962
• Generalize nbands hack by @pmrv in #967
• call super init by @Leimeroth in #971
• [minor] add longer explanation to not selected potential by @samwaseda in #977
• Update shell notebook by @liamhuber in #978
• Tinybase: New Input/Output, Renamed Executors, Storage/Directory brokering by Project by @pmrv in #949
• Lighten the import of pyiron_contrib by @niklassiemer in #968
• Bump distributed from 2023.12.1 to 2024.1.1 by @dependabot in #974
• Bump seaborn from 0.13.1 to 0.13.2 by @dependabot in #975
• Bump pyiron-base from 0.6.20 to 0.6.22 by @dependabot in #961
• Delete .github/delete-merged-branch-config.yml by @jan-janssen in #957
• Bump pyiron-atomistics from 0.4.6 to 0.4.10 by @dependabot in #981

Full Changelog: pyiron_contrib-0.1.13...pyiron_contrib-0.1.14

pyiron_contrib-0.1.12

What's Changed

• Make LAMMPS potential algebraic by @samwaseda in #698
• Return output when calling run by @liamhuber in #778
• Clean executor fails by @liamhuber in #777
• Node input as args by @liamhuber in #769
• Run the workhorse CI on all pulls by @liamhuber in #782
• Drop python <3.9 from setup.py by @liamhuber in #802
• Parse output labels automatically by @liamhuber in #770
• Downgrade pyparsing by @srmnitc in #800
• Bump distributed from 2023.5.0 to 2023.7.1 by @dependabot in #801
• Bump matplotlib from 3.7.1 to 3.7.2 by @dependabot in #762
• Bump scipy from 1.10.1 to 1.11.1 by @dependabot in #780

Full Changelog: pyiron_contrib-0.1.11...pyiron_contrib-0.1.12

pyiron_contrib-0.1.11

What's Changed

• Pin scikit-image to 0.19.3 by @liamhuber in #652
• Single import for workflows by @liamhuber in #645
• Make normal nodes slow by @liamhuber in #648
• Fast nodes by @liamhuber in #646
• More convenient single value nodes by @liamhuber in #654
• Introduce HasChannel by @liamhuber in #655
• Move pre-built node files by @liamhuber in #656
• Attach node packages to workflow by @liamhuber in #657
• Qol workflow reprs by @liamhuber in #658
• QoL: Protect node init keywords by @liamhuber in #660
• Make special workflow nodes more flexible at instantiation by @liamhuber in #661
• Use consistent language for IO by @liamhuber in #663
• Let channels wait by @liamhuber in #662
• Bump boto3 from 1.26.118 to 1.26.129 by @dependabot in #664
• Bump pyiron-base from 0.5.36 to 0.5.37 by @dependabot in #650
• Node status by @liamhuber in #666
• Fail earlier without output labels by @liamhuber in #667
• Move tests to unit folder by @liamhuber in #668
• Add a check if randspg binary is installed by @pmrv in #671
• MTP AL: Read atom species consistently with potential by @pmrv in #676
• Bump typeguard from 3.0.2 to 4.0.0 by @dependabot in #678
• Bump moto from 4.1.8 to 4.1.9 by @dependabot in #679
• Bump boto3 from 1.26.129 to 1.26.133 by @dependabot in #680
• Add initial implementation for FitsnapJob by @jan-janssen in #681
• Update job class dict by @jan-janssen in #683
• Refactor the two ways of adding into a single method by @liamhuber in #682
• Bump pyiron-base from 0.5.37 to 0.5.38 by @dependabot in #684
• Bump moto from 4.1.9 to 4.1.10 by @dependabot in #687
• Bump pyiron-atomistics from 0.2.66 to 0.2.67 by @dependabot in #685
• Bump boto3 from 1.26.133 to 1.26.137 by @dependabot in #686
• Use pyiron actions by @liamhuber in #669
• Create init.py by @samwaseda in #689
• add QuasiHarmonicApproximation in init.py by @samwaseda in #690
• Fix child job access bug in QuasiHarmonicApproximation by @raynol-dsouza in #691
• Bump boto3 from 1.26.137 to 1.26.142 by @dependabot in #695
• Bump pyiron-base from 0.5.38 to 0.5.39 by @dependabot in #696
• Bump moto from 4.1.10 to 4.1.11 by @dependabot in #704
• Bump boto3 from 1.26.142 to 1.26.146 by @dependabot in #705
• Add a doc example for workflow inputs and outputs by @liamhuber in #675
• Prepare for executors by @liamhuber in #707
• Make run optional in TrainingContainer.sample by @pmrv in #709
• Bump boto3 from 1.26.146 to 1.26.151 by @dependabot in #713
• Bump pyiron-base from 0.5.39 to 0.6.1 by @dependabot in #714
• Bump pyiron-atomistics from 0.2.67 to 0.3.0 by @dependabot in #712
• Allow self in node definition by @samwaseda in #708
• Add a Dask Executor by @pmrv in #718
• Add calc static by @liamhuber in #715
• Add server object to Node and Workflow by @samwaseda in #724
• Update tinybase to latest main by @pmrv in #728
• Tinybase: Reconstructing pyiron_base, just smaller by @pmrv in #609
• Has nodes mixin by @liamhuber in #727
• Bump boto3 from 1.26.151 to 1.26.155 by @dependabot in #720
• Bump pyparsing from 3.0.9 to 3.1.0 by @dependabot in #719
• Workflow: Refactor io by @liamhuber in #732
• Workflow: Better io by @liamhuber in #735
• Workflow: Remove storage priority by @liamhuber in #736
• Bump moto from 4.1.11 to 4.1.12 by @dependabot in #740
• Bump boto3 from 1.26.155 to 1.26.160 by @dependabot in #741
• Test self capability by @liamhuber in #742
• Workflow: Merge changes I made so far by @samwaseda in #733
• Workflow: Build IO in the property if it doesn't exist already by @liamhuber in #737
• Introduce DirectoryObject and FileObject in Workflow by @samwaseda in #725
• Workflow: Centralize working directory by @liamhuber in #745
• Add pympipool executor by @pmrv in #730
• Update docs by @liamhuber in #753
• Fast by default by @liamhuber in #755
• Data channel value starts as not data by @liamhuber in #754
• Rename classes by @liamhuber in #751
• Fix type hints by @liamhuber in #750
• Workflow: Composition to inheritance by @liamhuber in #748
• Bump boto3 from 1.26.160 to 1.26.165 by @dependabot in #758
• Bump boto3 from 1.26.165 to 1.28.1 by @dependabot in #763
• Tinybase: Add creators for UX by @pmrv in #734
• Order things for circular graphs by @liamhuber in #761
• Executor submodule by @liamhuber in #765
• More cloudpickle executor by @liamhuber in #767
• Introduce running on an executor by @liamhuber in #760
• New class hierarchy and better readiness checking by @liamhuber in #729
• Make the dot dict contents show up in tab completion by @liamhuber in #768
• Hotfix: represeting NotData by @liamhuber in #776
• Bump pympipool from 0.5.1 to 0.5.4 by @dependabot in #772
• Bump moto from 4.1.12 to 4.1.13 by @dependabot in #773
• Bump pympipool from 0.5.4 to 0.5.5 by @dependabot in #779
• Bump pyiron-base from 0.6.1 to 0.6.2 by @dependabot in #775
• Bump boto3 from 1.28.1 to 1.28.5 by @dependabot in #785
• Bump pyiron-base from 0.6.1 to 0.6.3 by @dependabot in #784
• Bump scikit-image from 0.19.3 to 0.21.0 by @dependabot in #706
• Bump boto3 from 1.28.5 to 1.28.9 by @dependabot in #788
• Bump pympipool from 0.5.5 to 0.5.6 by @dependabot in #787
• Add LAMMPS specific (super quick) drag method by @samwaseda in #794
• Bump moto from 4.1.13 to 4.1.14 by @dependabot in #795
• Bump pyparsing from 3.1.0 to 3.1.1 by @dependabot in #796
• Bump typeguard from 4.0.0 to 4.1.0 by @dependabot in #798
• Bump pympipool from 0.5.6 to 0.6.1 by @dependabot in #799
• Bump boto3 from 1.28.9 to 1.28.15 by @dependabot in #797

Full Changelog: pyiron_contrib-0.1.10...pyiron_contrib-0.1.11

pyiron_contrib-0.1.8

What's Changed

• Bump boto3 from 1.26.32 to 1.26.37 by @dependabot in #552
• Bump boto3 from 1.26.37 to 1.26.41 by @dependabot in #553
• Bump numpy from 1.24.0 to 1.24.1 by @dependabot in #555
• Bump seaborn from 0.12.1 to 0.12.2 by @dependabot in #554
• Compress RandSPG by default by @pmrv in #556
• Set running status correctly by @pmrv in #557
• Allow to include inspected jobs in TrainingContainer by @pmrv in #559
• Add method to plot energy vs nn distance by @pmrv in #558
• Bump boto3 from 1.26.41 to 1.26.45 by @dependabot in #562
• Bump scipy from 1.9.3 to 1.10.0 by @dependabot in #561
• Bump moto from 4.0.12 to 4.0.13 by @dependabot in #560
• Bump moto from 4.0.13 to 4.1.0 by @dependabot in #563
• Bump matplotlib from 3.6.2 to 3.6.3 by @dependabot in #564
• Bump pyiron-base from 0.5.30 to 0.5.31 by @dependabot in #565
• Bump pyiron-atomistics from 0.2.61 to 0.2.62 by @dependabot in #567
• Bump boto3 from 1.26.45 to 1.26.52 by @dependabot in #570
• Version 0 of the i-pi jobs by @raynol-dsouza in #571
• Bump boto3 from 1.26.52 to 1.26.54 by @dependabot in #572
• Generic init by @jan-janssen in #583
• Bump moto from 4.1.0 to 4.1.2 by @dependabot in #582
• Bump numpy from 1.24.1 to 1.24.2 by @dependabot in #580
• Merge main by @jan-janssen in #586
• Bump boto3 from 1.26.54 to 1.26.66 by @dependabot in #585
• Remove pre release version install by @jan-janssen in #578
• Add new classes which do not use file access by @jan-janssen in #584
• Bump boto3 from 1.26.65 to 1.26.69 by @dependabot in #588
• Add Murnaghan Job without files by @jan-janssen in #590
• Bump matplotlib from 3.6.3 to 3.7.0 by @dependabot in #593
• Bump moto from 4.1.2 to 4.1.3 by @dependabot in #594
• Bump boto3 from 1.26.69 to 1.26.74 by @dependabot in #595
• Bump pyiron-base from 0.5.31 to 0.5.32 by @dependabot in #581
• LAMMPS: Add support for external MPI communicators by @jan-janssen in #589
• Merge master by @jan-janssen in #598
• Create pympipool based Master jobs by @jan-janssen in #591
• NoFiles: Do not create working directories for GenericMaster jobs by @jan-janssen in #599
• Clean up jobs in nofiles by @jan-janssen in #601
• Create functioning QHA by @samwaseda in #369
• Add plotting function to show training errors on a log scale by @pmrv in #596
• Avoid reconstructing atoms in TrainingStorage by @pmrv in #597
• Bump boto3 from 1.26.74 to 1.26.79 by @dependabot in #602
• Bump scipy from 1.10.0 to 1.10.1 by @dependabot in #592
• Bump boto3 from 1.26.79 to 1.26.84 by @dependabot in #607
• Remove needs for notebook CI job by @liamhuber in #610
• Graph-based pyiron workflows by @liamhuber in #577
• Bump boto3 from 1.26.84 to 1.26.89 by @dependabot in #612
• Bump moto from 4.1.3 to 4.1.4 by @dependabot in #604
• Bump matplotlib from 3.7.0 to 3.7.1 by @dependabot in #605
• Add symprec in quasi harmonic approximation by @samwaseda in #613
• Bump pyiron-atomistics from 0.2.63 to 0.2.64 by @dependabot in #614
• Bump moto from 4.1.4 to 4.1.5 by @dependabot in #617
• change np.int to np.int64 to fix pacemaker job with numpy >=1.24 by @srmnitc in #618

New Contributors

• @srmnitc made their first contribution in #618

Full Changelog: pyiron_contrib-0.1.6...pyiron_contrib-0.1.8

pyiron_contrib-0.1.6

What's Changed

• Derive from StructurePlots from atomistics by @pmrv in #472
• Added MeamFit code to pyiron_contrib by @usaikia in #376
• TrainingContainer: Check for empty pressures by @pmrv in #500
• create folder by @samwaseda in #536
• Bond lattice mean-field model by @raynol-dsouza in #539
• TrainingContainer: Save to hdf after get_neighbors by @pmrv in #544
• atomicrex file names by @Leimeroth in #443
• First draft of cp2k interface by @jan-janssen in #286
• Mlip: Raise error when accessing potential on unfinished job by @pmrv in #499

Dependency Updates

• Bump numpy from 1.23.5 to 1.24.0 by @dependabot in #547
• Bump pyiron-atomistics from 0.2.60 to 0.2.61 by @dependabot in #545
• Bump boto3 from 1.26.22 to 1.26.27 by @dependabot in #546
• Bump boto3 from 1.26.27 to 1.26.32 by @dependabot in #548
• Bump moto from 4.0.11 to 4.0.12 by @dependabot in #549
• Update branch referenced by @liamhuber in #543
• Bump matplotlib from 3.6.1 to 3.6.2 by @dependabot in #527
• Bump boto3 from 1.24.96 to 1.26.22 by @dependabot in #541
• Bump numpy from 1.23.4 to 1.23.5 by @dependabot in #532
• Bump moto from 4.0.8 to 4.0.11 by @dependabot in #540
• Bump seaborn from 0.12.0 to 0.12.1 by @dependabot in #519
• Bump pyiron-base from 0.5.26 to 0.5.30 by @dependabot in #542
• Bump pyiron-atomistics from 0.2.58 to 0.2.60 by @dependabot in #533
• Bump boto3 from 1.24.75 to 1.24.80 by @dependabot in #502
• Bump moto from 4.0.3 to 4.0.5 by @dependabot in #501
• Bump pyiron-base from 0.5.23 to 0.5.24 by @dependabot in #506
• Bump pyiron-atomistics from 0.2.56 to 0.2.57 by @dependabot in #503
• Bump moto from 4.0.5 to 4.0.6 by @dependabot in #505
• Bump boto3 from 1.24.80 to 1.24.84 by @dependabot in #504
• Bump moto from 4.0.6 to 4.0.7 by @dependabot in #508
• Bump pyiron-base from 0.5.24 to 0.5.25 by @dependabot in #511
• Bump boto3 from 1.24.85 to 1.24.89 by @dependabot in #509
• Bump matplotlib from 3.6.0 to 3.6.1 by @dependabot in #510
• Bump boto3 from 1.24.89 to 1.24.91 by @dependabot in #513
• Bump pyiron-base from 0.5.25 to 0.5.26 by @dependabot in #516
• Bump pyiron-atomistics from 0.2.57 to 0.2.58 by @dependabot in #514
• Bump numpy from 1.23.3 to 1.23.4 by @dependabot in #515
• Bump scipy from 1.9.1 to 1.9.2 by @dependabot in #512
• Bump moto from 4.0.7 to 4.0.8 by @dependabot in #518
• Bump scipy from 1.9.2 to 1.9.3 by @dependabot in #520
• Bump boto3 from 1.24.91 to 1.24.96 by @dependabot in #517
• Bump pyiron-base from 0.5.22 to 0.5.23 by @dependabot in #491
• Bump pyiron-atomistics from 0.2.54 to 0.2.55 by @dependabot in #494
• Bump seaborn from 0.11.2 to 0.12.0 by @dependabot in #492
• Bump boto3 from 1.24.66 to 1.24.70 by @dependabot in #490
• Bump numpy from 1.23.2 to 1.23.3 by @dependabot in #489
• Bump moto from 4.0.2 to 4.0.3 by @dependabot in #493
• Bump boto3 from 1.24.70 to 1.24.75 by @dependabot in #498
• Bump matplotlib from 3.5.3 to 3.6.0 by @dependabot in #496
• Bump pyiron-atomistics from 0.2.55 to 0.2.56 by @dependabot in #497
• Bump moto from 4.0.0 to 4.0.1 by @dependabot in #484
• Bump boto3 from 1.24.56 to 1.24.61 by @dependabot in #483
• Bump scipy from 1.9.0 to 1.9.1 by @dependabot in #485
• Bump moto from 4.0.1 to 4.0.2 by @dependabot in #487
• Bump boto3 from 1.24.61 to 1.24.66 by @dependabot in #486
• Bump scipy from 1.8.1 to 1.9.0 by @dependabot in #466
• Bump boto3 from 1.24.36 to 1.24.46 by @dependabot in #468
• Bump pyiron-base from 0.5.19 to 0.5.20 by @dependabot in #469
• Bump moto from 3.1.16 to 3.1.17 by @dependabot in #471
• Bump pyiron-atomistics from 0.2.51 to 0.2.52 by @dependabot in #470
• Bump boto3 from 1.24.46 to 1.24.51 by @dependabot in #478
• Bump pyiron-base from 0.5.20 to 0.5.21 by @dependabot in #476
• Bump moto from 3.1.17 to 3.1.18 by @dependabot in #473
• Bump pyiron-base from 0.5.21 to 0.5.22 by @dependabot in #479
• Bump boto3 from 1.24.51 to 1.24.56 by @dependabot in #481
• Bump numpy from 1.23.1 to 1.23.2 by @dependabot in #474
• Bump moto from 3.1.18 to 4.0.0 by @dependabot in #480
• Bump pyiron-atomistics from 0.2.52 to 0.2.54 by @dependabot in #482
• Bump matplotlib from 3.5.2 to 3.5.3 by @dependabot in #477

New Contributors

• @usaikia made their first contribution in #376

Full Changelog: pyiron_contrib-0.1.5...pyiron_contrib-0.1.6

pyiron_contrib-0.1.5

What's Changed

• Do not fail job when potential parser fails by @pmrv in #435
• Only add forces and stress arrays to TrainingContainer if defined for at least one structure by @pmrv in #434
• Allow to remove job in TrainingContainer.sample by @pmrv in #424
• MLIP: Check array correctly by @pmrv in #449
• Add Docs workflow by @niklassiemer in #448
• Use private names for storages in PotentialPlots by @pmrv in #455
• Import only from pyiron_base directly by @jan-janssen in #459
• missing / by @Leimeroth in #430

Dependency Updates

• rename to i by @dependabot in #426
• Bump moto from 3.1.11 to 3.1.12 by @dependabot in #427
• Bump boto3 from 1.24.2 to 1.24.7 by @dependabot in #431
• Bump moto from 3.1.12 to 3.1.13 by @dependabot in #432
• Bump boto3 from 1.24.7 to 1.24.12 by @dependabot in #436
• Bump moto from 3.1.13 to 3.1.14 by @dependabot in #437
• Bump scikit-image from 0.19.2 to 0.19.3 by @dependabot in #433
• Bump pyiron-base from 0.5.13 to 0.5.14 by @dependabot in #442
• Bump moto from 3.1.14 to 3.1.15 by @dependabot in #440
• Bump pyiron-atomistics from 0.2.47 to 0.2.48 by @dependabot in #441
• Bump boto3 from 1.24.12 to 1.24.17 by @dependabot in #439
• Bump numpy from 1.22.4 to 1.23.0 by @dependabot in #438
• Bump boto3 from 1.24.17 to 1.24.22 by @dependabot in #446
• Bump pyiron-base from 0.5.14 to 0.5.15 by @dependabot in #445
• Bump moto from 3.1.15 to 3.1.16 by @dependabot in #444
• Bump numpy from 1.23.0 to 1.23.1 by @dependabot in #454
• Bump boto3 from 1.24.22 to 1.24.26 by @dependabot in #451
• Bump pyiron-base from 0.5.15 to 0.5.16 by @dependabot in #453
• Bump pyiron-atomistics from 0.2.48 to 0.2.49 by @dependabot in #452
• Bump pyiron-base from 0.5.16 to 0.5.17 by @dependabot in #458
• Bump boto3 from 1.24.26 to 1.24.31 by @dependabot in #457
• Bump pyiron-atomistics from 0.2.49 to 0.2.50 by @dependabot in #456
• Update pyiron_atomistics by @jan-janssen in #460
• Bump boto3 from 1.24.31 to 1.24.36 by @dependabot in #461

Full Changelog: pyiron_contrib-0.1.4...pyiron_contrib-0.1.5