How To Install cp2k-data on Debian 11
Introduction
In this tutorial we learn how to install cp2k-data on Debian 11.
What is cp2k-data
cp2k-data is:
CP2K is a program to perform simulations of solid state, liquid, molecular and biological systems. It is especially aimed at massively parallel and linear scaling electronic structure methods and state-of-the-art ab-inito molecular dynamics (AIMD) simulations.
This package contains basis sets, pseudopotentials and force-field parameters.
There are three methods to install cp2k-data on Debian 11. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install cp2k-data Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install cp2k-data using apt-get by running the following command:
sudo apt-get -y install cp2k-data
Install cp2k-data Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install cp2k-data using apt by running the following command:
sudo apt -y install cp2k-data
Install cp2k-data 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 cp2k-data using aptitude by running the following command:
sudo aptitude -y install cp2k-data
How To Uninstall cp2k-data on Debian 11
To uninstall only the cp2k-data package we can use the following command:
sudo apt-get remove cp2k-data
Uninstall cp2k-data And Its Dependencies
To uninstall cp2k-data and its dependencies that are no longer needed by Debian 11, we can use the command below:
sudo apt-get -y autoremove cp2k-data
Remove cp2k-data Configurations and Data
To remove cp2k-data configuration and data from Debian 11 we can use the following command:
sudo apt-get -y purge cp2k-data
Remove cp2k-data configuration, data, and all of its dependencies
We can use the following command to remove cp2k-data configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge cp2k-data
Dependencies
cp2k-data have the following dependencies:
References
Summary
In this tutorial we learn how to install cp2k-data package on Debian 11 using different package management tools: apt, apt-get and aptitude.
