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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/

Project details


Download files

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Files for phytoolkit, version 0.2.1a0
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Filename, size phytoolkit-0.2.1a0-py3-none-any.whl (11.8 kB) File type Wheel Python version py3 Upload date Hashes View
Filename, size phytoolkit-0.2.1a0.tar.gz (9.0 kB) File type Source Python version None Upload date Hashes View

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