https://github.com/pyiron/pyiron_dataclasses

Dataclasses for the pyiron workflow framework
https://github.com/pyiron/pyiron_dataclasses

Last synced: 5 months ago
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Dataclasses for the pyiron workflow framework

• Host: GitHub
• URL: https://github.com/pyiron/pyiron_dataclasses
• Owner: pyiron
• License: bsd-3-clause
• Created: 2024-10-03T09:17:39.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2026-01-19T20:01:39.000Z (5 months ago)
• Last Synced: 2026-01-20T01:28:56.883Z (5 months ago)
• Language: Python
• Homepage:
• Size: 314 KB
• Stars: 0
• Watchers: 5
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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README

          
# Dataclasses for pyiron

[![Pipeline](https://github.com/pyiron/pyiron_dataclasses/actions/workflows/pipeline.yml/badge.svg)](https://github.com/pyiron/pyiron_dataclasses/actions/workflows/pipeline.yml)

[![codecov](https://codecov.io/gh/pyiron/pyiron_dataclasses/graph/badge.svg?token=83H0OO0AFC)](https://codecov.io/gh/pyiron/pyiron_dataclasses)

The `pyiron_dataclasses` module provides a series of [dataclasses](https://docs.python.org/3/library/dataclasses.html) 

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:

```python

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`:

Previous versions of `pyiron_atomistics`:

* `0.6.25` - Feb 21 2025 (Python 3.12)

* `0.7.20` - Sep 27 2025 (Python 3.12)

`pyiron_atomistics` version `0.8.X`:

* `0.8.0` - Sep 30 2025 (Python 3.12)

* `0.8.1` - Oct 7 2025 (Python 3.13)

* `0.8.2` - Nov 1 2025 (Python 3.13)

* `0.8.3` - Nov 7 2025 (Python 3.13)

* `0.8.4` - Nov 10 2025 (Python 3.13)

* `0.8.5` - Nov 30 2025 (Python 3.13)

* `0.8.6` - Dec 15 2025 (Python 3.13)

* `0.8.7` - Jan 19 2026 (Python 3.13)