How To Install openmx on Ubuntu 22.04
Introduction
In this tutorial we learn how to install openmx on Ubuntu 22.04.
What is openmx
openmx 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.
There are three methods to install openmx 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 openmx 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 using apt-get by running the following command:
sudo apt-get -y install openmx
Install openmx Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install openmx using apt by running the following command:
sudo apt -y install openmx
Install openmx 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 using aptitude by running the following command:
sudo aptitude -y install openmx
How To Uninstall openmx on Ubuntu 22.04
To uninstall only the openmx package we can use the following command:
sudo apt-get remove openmx
Uninstall openmx And Its Dependencies
To uninstall openmx and its dependencies that are no longer needed by Ubuntu 22.04, we can use the command below:
sudo apt-get -y autoremove openmx
Remove openmx Configurations and Data
To remove openmx configuration and data from Ubuntu 22.04 we can use the following command:
sudo apt-get -y purge openmx
Remove openmx configuration, data, and all of its dependencies
We can use the following command to remove openmx configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge openmx
References
Summary
In this tutorial we learn how to install openmx package on Ubuntu 22.04 using different package management tools: apt, apt-get and aptitude.
