How To Install python-ase on Ubuntu 18.04

In this tutorial we learn how to install python-ase on Ubuntu 18.04. python-ase is Atomic Simulation Environment (Python 2)

Introduction

In this tutorial we learn how to install python-ase on Ubuntu 18.04.

What is python-ase

python-ase is:

ASE is an Atomic Simulation Environment written in the Python programming language with the aim of setting up, stearing, and analyzing atomic simulations. ASE is part of CAMPOS, the CAMP Open Source project.

ASE contains Python interfaces to several different electronic structure codes including Abinit, Asap, Dacapo, Elk, GPAW and SIESTA.

This package provides the Python 2 modules.

There are three methods to install python-ase on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install python-ase Using apt-get

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

sudo apt-get update

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

sudo apt-get -y install python-ase

Install python-ase Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install python-ase

Install python-ase 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 python-ase using aptitude by running the following command:

sudo aptitude -y install python-ase

How To Uninstall python-ase on Ubuntu 18.04

To uninstall only the python-ase package we can use the following command:

sudo apt-get remove python-ase

Uninstall python-ase And Its Dependencies

To uninstall python-ase and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:

sudo apt-get -y autoremove python-ase

Remove python-ase Configurations and Data

To remove python-ase configuration and data from Ubuntu 18.04 we can use the following command:

sudo apt-get -y purge python-ase

Remove python-ase configuration, data, and all of its dependencies

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

sudo apt-get -y autoremove --purge python-ase

References

Summary

In this tutorial we learn how to install python-ase package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.