How To Install votca-xtp on Ubuntu

Posted on April 1, 2023 (Last modified on May 20, 2023 )

2 minutes • 371 words

Introduction

In this tutorial we learn how to install votca-xtp on Ubuntu.

What is `votca-xtp`

votca-xtp is:

VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge transport in disordered semiconductors.

xtp is Votca’s exciton transport simulation engine.

There are three methods to install votca-xtp 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 votca-xtp 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-xtp using apt-get by running the following command:

sudo apt-get -y install votca-xtp

Install votca-xtp Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install votca-xtp

Install votca-xtp 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 votca-xtp using aptitude by running the following command:

sudo aptitude -y install votca-xtp

How To Uninstall votca-xtp on Ubuntu

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

sudo apt-get remove votca-xtp

Uninstall votca-xtp And Its Dependencies

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

sudo apt-get -y autoremove votca-xtp

Remove votca-xtp Configurations and Data

To remove votca-xtp configuration and data from Ubuntu we can use the following command:

sudo apt-get -y purge votca-xtp

Remove votca-xtp configuration, data, and all of its dependencies

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

sudo apt-get -y autoremove --purge votca-xtp

Dependencies

votca-xtp have the following dependencies:

References

votca-xtp website

Summary

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