How To Install ase on Ubuntu 20.04

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In this tutorial we learn how to install ase on Ubuntu 20.04. ase is Atomic Simulation Environment

Introduction

In this tutorial we learn how to install ase on Ubuntu 20.04.

What is ase

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 executable scripts.

There are three methods to install ase on Ubuntu 20.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install 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 ase using apt-get by running the following command:

sudo apt-get -y install ase

Install ase Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install ase

Install 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 ase using aptitude by running the following command:

sudo aptitude -y install ase

How To Uninstall ase on Ubuntu 20.04

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

sudo apt-get remove ase

Uninstall ase And Its Dependencies

To uninstall ase and its dependencies that are no longer needed by Ubuntu 20.04, we can use the command below:

sudo apt-get -y autoremove ase

Remove ase Configurations and Data

To remove ase configuration and data from Ubuntu 20.04 we can use the following command:

sudo apt-get -y purge ase

Remove ase configuration, data, and all of its dependencies

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

sudo apt-get -y autoremove --purge ase

References

Summary

In this tutorial we learn how to install ase package on Ubuntu 20.04 using different package management tools: apt, apt-get and aptitude.

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