How to install PYMATGEN on WINDOWS [TUTORIAL]
Channel: Phys Whiz
Date: 2019-05-18

In this tutorial, I show how to install and setup pymatgen, which is an open-source python package/library for performing materials analysis as well as input file reading and creation for VASP, etc.

Pymatgen (http://pymatgen.org/) is installed via conda, as there is some problem with spglib, when installing using pip.

To install pymatgen using conda, first install python as shown in the previous video: https://www.youtube.com/watch?v=-S0EULmh-ZQ

Then install Miniconda from here: https://docs.conda.io/en/latest/miniconda.html

After that open the Anaconda Prompt and give the command:

conda install --channel matsci pymatgen

to install pymatgen.

Then copy the contents of Lib/site-packages inside your Miniconda installation to Lib/site-packages of the Python installation.

You might also have to reinstall scipy, numpy and matplotlib after the last step. Do that using pip.

pip install numpy
pip install scipy
pip install matplotlib

Now, try importing pymatgen

import pymatgen

You should be successful.

Hope you find it useful!

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