How To Install python3-pymatgen on Debian 12

Learn how to install python3-pymatgen on Debian 12 with this tutorial. python3-pymatgen is Python Materials Genomics for materials analysis

Introduction

In this tutorial we learn how to install python3-pymatgen on Debian 12.

What is `python3-pymatgen`

python3-pymatgen is:

Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features:

1.Highly flexible classes for the representation of Element, Site, Molecule, Structure objects.

Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats.
Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc.
Electronic structure analyses, such as density of states and band structure.
Integration with the Materials Project REST API, Crystallography Open Database.

This package provides the pymtgen module for Python 3.

There are three methods to install python3-pymatgen on Debian 12. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install python3-pymatgen Using apt-get

Update apt database with apt-get using the following command.

sudo apt-get update

After updating apt database, We can install python3-pymatgen using apt-get by running the following command:

sudo apt-get -y install python3-pymatgen

Install python3-pymatgen Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install python3-pymatgen using apt by running the following command:

sudo apt -y install python3-pymatgen

Install python3-pymatgen Using aptitude

If you want to follow this method, you might need to install aptitude first since aptitude is usually not installed by default on Debian. Update apt database with aptitude using the following command.

sudo aptitude update

After updating apt database, We can install python3-pymatgen using aptitude by running the following command:

sudo aptitude -y install python3-pymatgen

How To Uninstall python3-pymatgen on Debian 12

To uninstall only the python3-pymatgen package we can use the following command:

sudo apt-get remove python3-pymatgen

Uninstall python3-pymatgen And Its Dependencies

To uninstall python3-pymatgen and its dependencies that are no longer needed by Debian 12, we can use the command below:

sudo apt-get -y autoremove python3-pymatgen

Remove python3-pymatgen Configurations and Data

To remove python3-pymatgen configuration and data from Debian 12 we can use the following command:

sudo apt-get -y purge python3-pymatgen

Remove python3-pymatgen configuration, data, and all of its dependencies

We can use the following command to remove python3-pymatgen configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge python3-pymatgen

Dependencies

python3-pymatgen have the following dependencies:

References

Summary

In this tutorial we learn how to install python3-pymatgen package on Debian 12 using different package management tools: apt, apt-get and aptitude.