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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"description": "JobRun\n======\n\nAbout\n-----\n**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:\n\n* DFTB+\n* Gaussian\n* deMon2k\n* ORCA\n* VASP\n\nInstall\n-------\nInstall from GitHub with pip\n```\npip3 install --user git+https://github.com/josemvas/jobrun.git\n```\n\nConfigure\n---------\nAfter installing run\n```\njobrun-cfg setup\n```\nand follow the instructions printed on the screen.\n\nUpgrade\n-------\nUpgrade from GitHub with pip\n```\npip3 install --user --upgrade git+https://github.com/josemvas/jobrun.git\n```\n\nNotes\n-----\nFor system wide installation drop the `--user` option.\n\n\n",
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