Dataclasses for the pyiron workflow framework
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Dataclasses for pyiron
The pyiron_dataclasses module provides a series of dataclasses
for the pyiron workflow framework. It can load HDF5 files created by pyiron_atomistics and read the content stored
in those files, without depending on pyiron_atomistics. Furthermore, it is not fixed to a single version of
pyiron_atomistics but rather matches multiple versions of pyiron_atomistics to the same API version of
pyiron_dataclasses.
Usage
Using the get_dataclass() function of the built-in converter:
from h5io_browser import read_dict_from_hdf
from pyiron_dataclasses import get_dataclass_v1
job_classes = get_dataclass(
job_dict=read_dict_from_hdf(
file_name=job.project_hdf5.file_name,
h5_path="/",
recursive=True,
slash='ignore',
)[job.job_name]
)
job_classes
Supported Versions
Version 1 - v1
Supported versions of pyiron_atomistics:
pyiron_atomistics version 0.6.X:
0.6.20- Jan 8 20250.6.21- Jan 9 20250.6.22- Jan 13 20250.6.23- Feb 6 20250.6.24- Feb 17 20250.6.25- Feb 21 2025
pyiron_atomistics version 0.7.X:
0.7.0- Feb 28 20250.7.1- Mar 5 20250.7.2- Mar 12 20250.7.3- Apr 3 20250.7.4- Apr 14 20250.7.5- Apr 17 20250.7.6- Apr 30 20250.7.7- May 17 20250.7.8- Jun 6 20250.7.9- Jul 6 20250.7.10- Jul 6 20250.7.11- Jul 10 20250.7.12- Jul 21 20250.7.13- Jul 22 20250.7.14- Aug 13 20250.7.15- Aug 18 20250.7.16- Aug 26 20250.7.17- Sep 9 20250.7.18- Sep 15 20250.7.19- Sep 22 20250.7.20- Sep 27 2025
pyiron_atomistics version 0.8.X:
0.8.0- Sep 30 20250.8.1- Oct 7 20250.8.2- Nov 1 20250.8.3- Nov 1 2025
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