Run Python functions on a remote computer.
Project description
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
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file aiida_pythonjob-0.3.0.tar.gz.
File metadata
- Download URL: aiida_pythonjob-0.3.0.tar.gz
- Upload date:
- Size: 61.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.1.0 CPython/3.9.23
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
bd9e702afc306042a5a0239985ae0449a49050515abf59d7d88701f39b05f94f
|
|
| MD5 |
7cdb5e1f52f9e7e276f4c58fc0145c70
|
|
| BLAKE2b-256 |
d6e5669c99889b36c80a8d00c36535655f5e07126e4641eee6d6072290edf545
|
File details
Details for the file aiida_pythonjob-0.3.0-py3-none-any.whl.
File metadata
- Download URL: aiida_pythonjob-0.3.0-py3-none-any.whl
- Upload date:
- Size: 31.8 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.1.0 CPython/3.9.23
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
ecb082252e469d162dbb0787faf5afd552157642bcce431a357eb394bf692dda
|
|
| MD5 |
2bb34b4fdb99253f5df350dfdae6239e
|
|
| BLAKE2b-256 |
dad0b31311cc7be80f7a22e0057c47c8cea5536274f33d03a1be8f158ba59bbf
|
