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
2 maintainers
Metadata
2 maintainers
Release files for aiida-pythonjob 0.5.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| aiida_pythonjob-0.5.2.tar.gz | 42.1 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| aiida_pythonjob-0.5.2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 80.8 kB
Release files / aiida_pythonjob-0.5.2.tar.gz
| Download URL | aiida_pythonjob-0.5.2.tar.gz |
|---|---|
| Size | 42.1 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
2512a8e3440124a427225188d539ee660302272d3aac2bd12722263f60cd8e82
|
|
BLAKE2b-256 checksum How to use checksums |
ce43f8bb3199d9097dd8c0be0858041bf0a350cd9795b26eab756338fe1d4241
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.9.25
|
Release files / aiida_pythonjob-0.5.2-py3-none-any.whl
| Download URL | aiida_pythonjob-0.5.2-py3-none-any.whl |
|---|---|
| Size | 38.7 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
00304fc584cb22c34b0ab8c3eb4b0574a2364349304c1cc7fd3d9c988b30afea
|
|
BLAKE2b-256 checksum How to use checksums |
442a9646f438580ef5a6681ade6ec2a9f136708f4d65167a1392396ced3ce0bb
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.9.25
|
