How To Install nwchem-data on Kali Linux

Introduction

In this tutorial we learn how to install nwchem-data on Kali Linux.

What is nwchem-data

nwchem-data is:

NWChem is a computational chemistry program package. It provides methods which are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

This package contains the basis sets, pseudopotentials and AMBER/CHARMM parameter files.

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

Install nwchem-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 nwchem-data using apt-get by running the following command:

sudo apt-get -y install nwchem-data

Install nwchem-data Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install nwchem-data

Install nwchem-data Using aptitude

If you want to follow this method, you might need to install aptitude on Kali Linux first since aptitude is usually not installed by default on Kali Linux. Update apt database with aptitude using the following command.

sudo aptitude update

After updating apt database, We can install nwchem-data using aptitude by running the following command:

sudo aptitude -y install nwchem-data

How To Uninstall nwchem-data on Kali Linux

To uninstall only the nwchem-data package we can use the following command:

sudo apt-get remove nwchem-data

Uninstall nwchem-data And Its Dependencies

To uninstall nwchem-data and its dependencies that are no longer needed by Kali Linux, we can use the command below:

sudo apt-get -y autoremove nwchem-data

Remove nwchem-data Configurations and Data

To remove nwchem-data configuration and data from Kali Linux we can use the following command:

sudo apt-get -y purge nwchem-data

Remove nwchem-data configuration, data, and all of its dependencies

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

sudo apt-get -y autoremove --purge nwchem-data

Dependencies

nwchem-data have the following dependencies:

References

• nwchem-data website

Summary

In this tutorial we learn how to install nwchem-data package on Kali Linux using different package management tools: apt, apt-get and aptitude.