How To Install openmx-data on Ubuntu 20.04
Introduction
In this tutorial we learn how to install openmx-data on Ubuntu 20.04.
What is openmx-data
openmx-data is:
OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors.
This package contains the 2013 database of fully relativistic pseudopotentials (VPS) and pseudo-atomic orbitals (PAO), generated by ADPACK.
There are three methods to install openmx-data 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 openmx-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 openmx-data using apt-get by running the following command:
sudo apt-get -y install openmx-data
Install openmx-data Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install openmx-data using apt by running the following command:
sudo apt -y install openmx-data
Install openmx-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 openmx-data using aptitude by running the following command:
sudo aptitude -y install openmx-data
How To Uninstall openmx-data on Ubuntu 20.04
To uninstall only the openmx-data package we can use the following command:
sudo apt-get remove openmx-data
Uninstall openmx-data And Its Dependencies
To uninstall openmx-data and its dependencies that are no longer needed by Ubuntu 20.04, we can use the command below:
sudo apt-get -y autoremove openmx-data
Remove openmx-data Configurations and Data
To remove openmx-data configuration and data from Ubuntu 20.04 we can use the following command:
sudo apt-get -y purge openmx-data
Remove openmx-data configuration, data, and all of its dependencies
We can use the following command to remove openmx-data configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge openmx-data
References
Summary
In this tutorial we learn how to install openmx-data package on Ubuntu 20.04 using different package management tools: apt, apt-get and aptitude.
