How To Install python3-pymatgen on Ubuntu 22.04
Introduction
In this tutorial we learn how to install python3-pymatgen
on Ubuntu 22.04.
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 Ubuntu 22.04. 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 Ubuntu. 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 Ubuntu 22.04
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 Ubuntu 22.04, 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 Ubuntu 22.04 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
References
Summary
In this tutorial we learn how to install python3-pymatgen
package on Ubuntu 22.04 using different package management tools: apt
, apt-get
and aptitude
.