Introduction
In this tutorial we learn how to install abinit on Ubuntu 22.04.
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 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 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 Ubuntu. 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 Ubuntu 22.04
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 Ubuntu 22.04, we can use the command below:
sudo apt-get -y autoremove abinit
Remove abinit Configurations and Data
To remove abinit configuration and data from Ubuntu 22.04 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
References
Summary
In this tutorial we learn how to install abinit package on Ubuntu 22.04 using different package management tools: apt, apt-get and aptitude.
