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aiida-pythonjob

PyPI

Run Python functions on a remote computer.

Versions collected1

Direct dependencies17From release 0.5.2

Last observed21 Oct, 11:00 UTC

README

Version 0.5.2 documentation

AiiDA-PythonJob

PythonJob allows users to run Python functions on a remote computer. It is designed to enable users from non-AiiDA communities to run their Python functions remotely and construct workflows with checkpoints, maintaining all data provenance. For instance, users can use ASE's calculator to run a DFT calculation on a remote computer directly.

Key Features

Remote Execution: Seamlessly run Python functions on a remote computer.
User-Friendly: Designed for users who are not familiar with AiiDA, simplifying the process of remote execution.
Workflow Management: Construct workflows using WorkGraph with checkpoints, ensuring that intermediate states and results are preserved.
Data Provenance: Maintain comprehensive data provenance, tracking the full history and transformations of data.

Installation

    pip install aiida-pythonjob

To install the latest version from source, first clone the repository and then install using pip:

git clone https://github.com/aiidateam/aiida-pythonjob
cd aiida-pythonjob
pip install -e .

Documentation

Explore the comprehensive documentation to discover all the features and capabilities of AiiDA PythonJob.

License

MIT

Downloads & popularity

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Versions 1

Collected releases

Version	Published	Direct dependencies	Open version
0.5.2	1 Mar 2026	17

Package advisories

No matching advisories collected

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Repository

PENDING

aiidateam/aiida-pythonjob

Shared repository data · GitHub

License detected in repository: Not collected

Metadata history

Meaningful changes

Current collected state Current

Observed since 21 Oct, 11:00 UTC

No superseded metadata states collected. Unchanged observations do not create new revisions.

Record identity

package:22aaa9a6bb7f999779cd5a74fff8d05a1c2fb2b8165835c6b9e13eb1cfeaf688

Package details

Ecosystem: PyPI
Registry license: MIT License Copyright (c) 2024 AiiDA team Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Collected versions: 1
Source: PyPI

PACKAGE URL

pkg:pypi/aiida-pythonjob

Project links

Registry Source

Source & dates

Source modified: Unknown
First observed: 21 Oct 2026
Last observed: 21 Oct, 11:00 UTC

Publication, source changes and collection are separate events.