jobrun

Name	jobrun JSON
Version	0.1.1 JSON
	download
home_page	https://github.com/josemvas/jobrun
Summary	JobRun is a configurable tool to run simulation jobs in HPC clusters
upload_time	2025-04-21 07:39:13
maintainer	None
docs_url	None
author	None
requires_python	>=3.6
license	LGPLv3+
keywords	job queue hpc cluster
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            JobRun
======

About
-----
**JobRun** is a configurable tool to run simulation jobs in HPC clusters. It is compatible with PBS, LSF and Slurm and currently supports the following simulation software:

* DFTB+
* Gaussian
* deMon2k
* ORCA
* VASP

Install
-------
Install from GitHub with pip
```
pip3 install --user git+https://github.com/josemvas/jobrun.git
```

Configure
---------
After installing run
```
jobrun-cfg setup
```
and follow the instructions printed on the screen.

Upgrade
-------
Upgrade from GitHub with pip
```
pip3 install --user --upgrade git+https://github.com/josemvas/jobrun.git
```

Notes
-----
For system wide installation drop the `--user` option.



            

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