How To Install quantum-espresso-data on Debian 12

Learn how to install quantum-espresso-data on Debian 12 with this tutorial. quantum-espresso-data is Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)

Introduction

In this tutorial we learn how to install quantum-espresso-data on Debian 12.

What is quantum-espresso-data

quantum-espresso-data is:

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving, ultrasoft, and PAW).

This package contains a limited set of pseudo-potentials and example files.

There are three methods to install quantum-espresso-data 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 quantum-espresso-data Using apt-get

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

sudo apt-get update

After updating apt database, We can install quantum-espresso-data using apt-get by running the following command:

sudo apt-get -y install quantum-espresso-data

Install quantum-espresso-data Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install quantum-espresso-data using apt by running the following command:

sudo apt -y install quantum-espresso-data

Install quantum-espresso-data 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 quantum-espresso-data using aptitude by running the following command:

sudo aptitude -y install quantum-espresso-data

How To Uninstall quantum-espresso-data on Debian 12

To uninstall only the quantum-espresso-data package we can use the following command:

sudo apt-get remove quantum-espresso-data

Uninstall quantum-espresso-data And Its Dependencies

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

sudo apt-get -y autoremove quantum-espresso-data

Remove quantum-espresso-data Configurations and Data

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

sudo apt-get -y purge quantum-espresso-data

Remove quantum-espresso-data configuration, data, and all of its dependencies

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

sudo apt-get -y autoremove --purge quantum-espresso-data

Dependencies

quantum-espresso-data have the following dependencies:

References

Summary

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