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

pyiron_base-0.5.31

What's Changed

• Bump traitlets from 5.5.0 to 5.6.0 by @dependabot in #933
• Add a function that retries some operation until no exception is thrown by @pmrv in #929
• Communicate to pypi that we support Python 3.11 by @jan-janssen in #935
• Rename master to main by @jan-janssen in #936
• More replacements by @liamhuber in #937
• refresh_job_status also for submitted jobs by @pmrv in #934
• Fix the flexible master by @jan-janssen in #943
• Bump traitlets from 5.7.0 to 5.7.1 by @dependabot in #946
• Fix pytable warning by @jan-janssen in #947
• Correct type hinting for job name sanitizer by @liamhuber in #944
• Unify scriptjob tests by @liamhuber in #949
• Disable working directory warining by @jan-janssen in #948
• Merge JobPath & JobPathCore by @pmrv in #958
• Add Project.symlink method to move and replace a project by symlink elsewhere by @pmrv in #812
• Faster install test by @liamhuber in #950
• Use the dict that got updated in setUp by @liamhuber in #956
• Allow none credentials and sql_view config settings by @liamhuber in #955
• Bump traitlets from 5.7.1 to 5.8.0 by @dependabot in #963
• Bump gitpython from 3.1.29 to 3.1.30 by @dependabot in #965
• Bump numpy from 1.23.5 to 1.24.1 by @dependabot in #964
• Bump sqlalchemy from 1.4.45 to 1.4.46 by @dependabot in #968

Full Changelog: pyiron_base-0.5.30...pyiron_base-0.5.31

pyiron_base-0.5.30

What's Changed

• Pyiron Table Refactor by @pmrv in #882
• Add flattenedstorage to backwards compat list of class loading paths by @pmrv in #909
• Bump pandas from 1.5.1 to 1.5.2 by @dependabot in #911
• Update unit tests to Python 3.11 by @jan-janssen in #881
• pint version update by @jan-janssen in #918
• run_static(): Write failed job_status to HDF by @jan-janssen in #912
• Implement a safe_extract function for tar by @jan-janssen in #913
• Job docstrings by @jan-janssen in #914
• Pure python jobs do not need write_input() by @jan-janssen in #915
• Update tests for GenericMaster by @jan-janssen in #917
• Implement interactive_close() for pyiron installations without database by @jan-janssen in #924
• Implement a job.input for GenericMaster by @jan-janssen in #916
• Accept both GenericParameters or DataContainer as input by @jan-janssen in #925
• interactive close fix by @jan-janssen in #926
• Move getitem() to GenericMaster by @jan-janssen in #927
• Rewrite the child_name() property by @jan-janssen in #928
• Set new job name when copying db entry by @pmrv in #888
• Tiny copy refactor by @pmrv in #932

Full Changelog: pyiron_base-0.5.29...pyiron_base-0.5.30

pyiron_base-0.5.29

What's Changed

• hdfio: If the initial write fails with a BlockIOError try again after 1 second. by @jan-janssen in #884
• Bump sqlalchemy from 1.4.42 to 1.4.43 by @dependabot in #885
• Remove debug print by @pmrv in #887
• Add repr to DatabaseProperties and remove nonzero by @pmrv in #893
• Bump sqlalchemy from 1.4.43 to 1.4.44 by @dependabot in #898
• Bump psutil from 5.9.3 to 5.9.4 by @dependabot in #899
• Separate relocate_hdf by @samwaseda in #901
• Bump numpy from 1.23.4 to 1.23.5 by @dependabot in #904
• non_modal mode without database use multiprocessing by @jan-janssen in #895
• hdfio: If the initial write fails with a BlockIOError try again after 1 second. by @jan-janssen in #889

Full Changelog: pyiron_base-0.5.28...pyiron_base-0.5.29

pyiron_base-0.5.13

• [minor] replace if None by if None is not None (#751)
• Draft: Extend flattened storage (#749)
• [ci skip] update of the contribution guidelines (#748)
• Explain more about subclassing DataContainer in docstring (#747)
• Derive Executable from HasStorage (#728)
• Dependency updates: #757, #756, #755, #746