pyiron_base 0.6.10

What's Changed

• Fix iterjobs() without database by @jan-janssen in #1222
• Use sphinx-rtd-theme by @jan-janssen in #1229
• Bump numpy from 1.26.0 to 1.26.2 by @dependabot in #1224
• Update pyfileindex to 0.0.18 and pysqa to 0.1.7 by @jan-janssen in #1232
• Add a dummy ProjectHDFio class for generic to_dict() by @pmrv in #1178
• Switch to pyproject.toml by @jan-janssen in #1236

Full Changelog: pyiron_base-0.6.9...pyiron_base-0.6.10

pyiron_base 0.6.9

What's Changed

• Bump gitpython from 3.1.37 to 3.1.40 by @dependabot in #1216
• Bump traitlets from 5.11.2 to 5.12.0 by @dependabot in #1217
• Bump pandas from 2.1.1 to 2.1.2 by @dependabot in #1218
• Bump traitlets from 5.12.0 to 5.13.0 by @dependabot in #1219
• Bump sqlalchemy from 2.0.22 to 2.0.23 by @dependabot in #1220
• Bump pandas from 2.1.2 to 2.1.3 by @dependabot in #1223
• Update pyfileindex to 0.0.13 by @jan-janssen in #1226
• Update pysqa to 0.1.4 by @jan-janssen in #1227
• Use trusted publisher action by @jan-janssen in #1225

Full Changelog: pyiron_base-0.6.8...pyiron_base-0.6.9

pyiron_base 0.6.8

What's Changed

• Bump pyfileindex from 0.0.11 to 0.0.12 by @dependabot in #1206
• Bump traitlets from 5.10.1 to 5.11.2 by @dependabot in #1204
• Bump tables from 3.8.0 to 3.9.1 by @dependabot in #1205
• FlattenedStorage: Allow export to pandas dataframes by @pmrv in #1207
• Move git import inside the function by @jan-janssen in #1203
• Bump sqlalchemy from 2.0.21 to 2.0.22 by @dependabot in #1211
• Bump h5py from 3.9.0 to 3.10.0 by @dependabot in #1212

Full Changelog: pyiron_base-0.6.7...pyiron_base-0.6.8

pyiron_base 0.6.7

What's Changed

• Bump pandas from 2.1.0 to 2.1.1 by @dependabot in #1194
• Bump sqlalchemy from 2.0.20 to 2.0.21 by @dependabot in #1195
• Bump gitpython from 3.1.36 to 3.1.37 by @dependabot in #1196
• Bump traitlets from 5.10.0 to 5.10.1 by @dependabot in #1197
• versioneer update to 0.29 by @jan-janssen in #1198
• merge master by @jan-janssen in #1202
• pysqa update to 0.1.3 by @jan-janssen in #1199
• Bump numpy from 1.24.3 to 1.26.0 by @dependabot in #1192

Full Changelog: pyiron_base-0.6.6...pyiron_base-0.6.7

pyiron_base 0.6.2

What's Changed

• Implement concurrent.futures.ProcessPoolExecutor interface by @jan-janssen in #1155
• Reimplement the flux interface by @jan-janssen in #1154
• Fixes for parallel master without database by @jan-janssen in #1156
• Bump h5io from 0.1.7 to 0.1.8 by @dependabot in #1160
• Bump sqlalchemy from 2.0.17 to 2.0.18 by @dependabot in #1161

Full Changelog: pyiron_base-0.6.1.dev.0...pyiron_base-0.6.2

pyiron_base-0.6.1.dev.0

This is a pre-release test

What's Changed

• GPU bug fix by @jan-janssen in #1127
• Add tests for server object by @jan-janssen in #1128
• Bump sqlalchemy from 2.0.15 to 2.0.16 by @dependabot in #1129
• Update deploy workflow by @niklassiemer in #1118
• Add numpy equality check for unit tests by @pmrv in #1133
• Merge main by @niklassiemer in #1134
• Fix error message by @liamhuber in #1136
• Revert flux introduction by @liamhuber in #1141
• FileTable on windows by @liamhuber in #1139
• Fix maintenance and add tests by @niklassiemer in #1132
• Check if project path exists before creating Project by @niklassiemer in #1138
• Bump h5py from 3.8.0 to 3.9.0 by @dependabot in #1145
• Drop pathlib2 by @pmrv in #1148
• Add method to delete arrays from FlattenedStorage by @pmrv in #1149
• Bump sqlalchemy from 2.0.16 to 2.0.17 by @dependabot in #1146
• Bump pandas from 2.0.2 to 2.0.3 by @dependabot in #1150

Full Changelog: pyiron_base-0.6.1...pyiron_base-0.6.1.dev.0

pyiron_base 0.6.0

The pyiron_base 0.6.X release drops support for Python 3.8. While Python 3.8 only reaches its end of life in October 2024, the advantages of type hinting in Python >=3.9 convinced us to drop Python 3.8 support early.

What's Changed

• Remove working directory warnings by @jan-janssen in #1105
• Queue status by @jan-janssen in #1123
• Update pysqa to 0.0.25 by @jan-janssen in #1124
• Bump pint from 0.21 to 0.22 by @dependabot in #1107

Full Changelog: pyiron_base-0.5.42...pyiron_base-0.6.0

pyiron_base 0.5.42

What's Changed

• Implement run_mode flux based on the flux python interface by @jan-janssen in #1120
• Runmode manually: Fix message when run without database by @jan-janssen in #1119
• Move all run functions to separate module by @jan-janssen in #1121

Full Changelog: pyiron_base-0.5.41...pyiron_base-0.5.42

pyiron_base-0.5.33

What's Changed

• Bump traitlets from 5.8.1 to 5.9.0 by @dependabot in #1024
• Bump sqlalchemy from 2.0.0 to 2.0.1 by @dependabot in #1025
• Bump numpy from 1.24.1 to 1.24.2 by @dependabot in #1023
• Tell user to restart server when pyiron install ends by @samwaseda in #1027
• fix black formatting by @jan-janssen in #1028
• fix pyiron_atomistics project level create_job() by @jan-janssen in #1030
• Bump sqlalchemy from 2.0.1 to 2.0.3 by @dependabot in #1032
• Clean generic.py and core.py - part 1 by @jan-janssen in #1035
• Merge master by @jan-janssen in #1037
• Clean generic.py and core.py - part 2 by @jan-janssen in #1036
• Bump gitpython from 3.1.30 to 3.1.31 by @dependabot in #1038
• Bump sqlalchemy from 2.0.3 to 2.0.4 by @dependabot in #1039
• Use safe getitem() to enable reloading jobs with special characters like spaces by @jan-janssen in #1042
• Downgrade sqlalchemy by @jan-janssen in #1043

Full Changelog: pyiron_base-0.5.32...pyiron_base-0.5.33

pyiron_base-0.5.32

What's Changed

• Always write status to HDF5 file in collect() by @jan-janssen in #973
• Bump pysqa from 0.0.17 to 0.0.18 by @dependabot in #977
• Bump traitlets from 5.8.0 to 5.8.1 by @dependabot in #975
• Bump future from 0.18.2 to 0.18.3 by @dependabot in #976
• Remove redundant _check_if_input_should_be_written() by @jan-janssen in #985
• Split execute_job_with_external_executable() into multiple sub functions by @jan-janssen in #987
• Support lookup of job status for pyiron installations without database by @jan-janssen in #972
• Call the correct logging method by @pmrv in #980
• Remove relative imports for cli by @jan-janssen in #988
• Update resource link to default to latest by @jan-janssen in #990
• Remove unused import statements by @jan-janssen in #991
• refactor file table, add docstrings and resort functions by @jan-janssen in #989
• Make it easier to store the run time by @jan-janssen in #984
• Add a run decorator by @jan-janssen in #992
• Dont fetch waiting jobs by @Leimeroth in #971
• Bump pandas from 1.5.2 to 1.5.3 by @dependabot in #998
• Move signal catching to separate module and refactor by @pmrv in #967
• project - raise error when the directory was not created by @jan-janssen in #997
• fix black formating by @jan-janssen in #1003
• Set maxtasksperchild for worker class by @jan-janssen in #1004
• Bump h5py from 3.7.0 to 3.8.0 by @dependabot in #1007
• Cleaner tests by @liamhuber in #1000
• Uniform database access to get child ids by @jan-janssen in #1010
• Always store children in working directory of Master by @jan-janssen in #1009
• Fix broken Database tests by @jan-janssen in #1013
• Merge Master by @jan-janssen in #1014
• black formatting by @jan-janssen in #1017
• Back to mappings by @jan-janssen in #1019
• job_table: Check for str before checking for character by @pmrv in #1012
• Backwards compatiblity by @jan-janssen in #1022
• Bump sqlalchemy from 1.4.46 to 2.0.0 by @dependabot in #1008

Full Changelog: pyiron_base-0.5.31...pyiron_base-0.5.32