An installer toolkit for installing a bunch of common simulation tools
Project description
phytoolkit
Installation kit for material simulation tools. Currently, it supports installation of:
- VASP 5.4.4
In progress:
- Siesta
- Quantum ESPRESSO
How to use this tool
Prerequisites
It is only tested with Ubuntu 18.04 and 20.04 and Python 3. Rest of the platforms may or may not work.
Steps to install
python3 -m pip install phytoolkit
Accessing documentation
phytoolkit --help
If the above command doesn't work, it means that you have installed the Python packages locally. Add
your local bin folder to path. Usually ~/.local/bin. You can do this by adding the following to
the end of your .bashrc file.
export PATH=$PATH:~/.local/bin
Once you have done this, you have to restart the terminal application or run the following command.
source ~/.bashrc
Notice
VASP source is licensed content. It is not shipped with this tool. You need to obtain it from the authorized parties. See: https://www.vasp.at/faqs/
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