How To Install cp2k-data on Debian 10

Learn how to install cp2k-data on Debian 10 with this tutorial. cp2k-data is Ab Initio Molecular Dynamics (data files)

Introduction

In this tutorial we learn how to install cp2k-data on Debian 10.

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 10. 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 10

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 10, 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 10 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 10 using different package management tools: apt, apt-get and aptitude.