How To Install abinit on Debian 10

Learn how to install abinit on Debian 10 with this tutorial. abinit is package for electronic structure calculations

Introduction

In this tutorial we learn how to install abinit on Debian 10.

What is abinit

abinit is:

ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis.

ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.

This package contains the executables needed to perform calculations (however, pseudopotentials are not supplied). For a set of pseudopotentials, install the abinit-data package.

There are three methods to install abinit on Debian 10. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install abinit Using apt-get

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

sudo apt-get update

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

sudo apt-get -y install abinit

Install abinit Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install abinit

Install abinit 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 abinit using aptitude by running the following command:

sudo aptitude -y install abinit

How To Uninstall abinit on Debian 10

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

sudo apt-get remove abinit

Uninstall abinit And Its Dependencies

To uninstall abinit and its dependencies that are no longer needed by Debian 10, we can use the command below:

sudo apt-get -y autoremove abinit

Remove abinit Configurations and Data

To remove abinit configuration and data from Debian 10 we can use the following command:

sudo apt-get -y purge abinit

Remove abinit configuration, data, and all of its dependencies

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

sudo apt-get -y autoremove --purge abinit

Dependencies

abinit have the following dependencies:

References

Summary

In this tutorial we learn how to install abinit package on Debian 10 using different package management tools: apt, apt-get and aptitude.