How To Install openmx on Debian 9

In this tutorial we learn how to install openmx on Debian 9. openmx is package for nano-scale material simulations

Introduction

In this tutorial we learn how to install openmx on Debian 9.

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 Debian 9. 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 Debian. 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 Debian 9

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 Debian 9, we can use the command below:

sudo apt-get -y autoremove openmx

Remove openmx Configurations and Data

To remove openmx configuration and data from Debian 9 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

Dependencies

openmx have the following dependencies:

References

Summary

In this tutorial we learn how to install openmx package on Debian 9 using different package management tools: apt, apt-get and aptitude.