How To Install votca-xtp on Ubuntu 22.04
Introduction
In this tutorial we learn how to install votca-xtp on Ubuntu 22.04.
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 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 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 22.04
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 22.04, 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 22.04 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
References
Summary
In this tutorial we learn how to install votca-xtp package on Ubuntu 22.04 using different package management tools: apt, apt-get and aptitude.