How To Install votca on Debian 12

Learn how to install votca on Debian 12 with this tutorial. votca is Molecular dynamics analysis - coarse-graining and charge transport

Introduction

In this tutorial we learn how to install votca on Debian 12.

What is `votca`

votca is:

Versatile Object-Oriented Toolkit for Coarse-Graining Applications (VOTCA) is a modeling package for the analysis of molecular dynamics data, the development of systematic coarse-graining techniques, and methods used for simulating microscopic charge transport in disordered semiconductors.

Numerous molecular dynamics packages, including but not limited to GROMACS, ESPREesSo, and LAMPPS, can be used together with VOTCA.

This package contains user programs for the coarse-graining toolkit (CSG) and excitation transport toolkit (XTP).

There are three methods to install votca on Debian 12. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

Install votca Using apt-get

Update apt database with apt-get using the following command.

sudo apt-get update

After updating apt database, We can install votca using apt-get by running the following command:

sudo apt-get -y install votca

Install votca Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install votca using apt by running the following command:

sudo apt -y install votca

Install votca 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 votca using aptitude by running the following command:

sudo aptitude -y install votca

How To Uninstall votca on Debian 12

To uninstall only the votca package we can use the following command:

sudo apt-get remove votca

Uninstall votca And Its Dependencies

To uninstall votca and its dependencies that are no longer needed by Debian 12, we can use the command below:

sudo apt-get -y autoremove votca

Remove votca Configurations and Data

To remove votca configuration and data from Debian 12 we can use the following command:

sudo apt-get -y purge votca

Remove votca configuration, data, and all of its dependencies

We can use the following command to remove votca configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge votca

Dependencies

votca have the following dependencies:

References

Summary

In this tutorial we learn how to install votca package on Debian 12 using different package management tools: apt, apt-get and aptitude.