How To Install abinit-data on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
3 minutes • 442 words
Introduction
In this tutorial we learn how to install abinit-data on Ubuntu.
What is abinit-data
abinit-data 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 a set of pseudopotentials and example inputs.
There are three methods to install abinit-data on Ubuntu. 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-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 abinit-data using apt-get by running the following command:
sudo apt-get -y install abinit-data
Install abinit-data Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install abinit-data using apt by running the following command:
sudo apt -y install abinit-data
Install abinit-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 Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install abinit-data using aptitude by running the following command:
sudo aptitude -y install abinit-data
How To Uninstall abinit-data on Ubuntu
To uninstall only the abinit-data package we can use the following command:
sudo apt-get remove abinit-data
Uninstall abinit-data And Its Dependencies
To uninstall abinit-data and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove abinit-data
Remove abinit-data Configurations and Data
To remove abinit-data configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge abinit-data
Remove abinit-data configuration, data, and all of its dependencies
We can use the following command to remove abinit-data configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge abinit-data
Dependencies
abinit-data have the following dependencies:
References
Summary
In this tutorial we learn how to install abinit-data package on Ubuntu using different package management tools: apt, apt-get and aptitude.