How To Install ergo-data on Kali Linux

Introduction

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

What is ergo-data

ergo-data is:

ErgoSCF is a quantum chemistry program for large-scale self-consistent field calculations. It employs modern linear scaling techniques like fast multipole methods, hierarchic sparse matrix algebra, density matrix purification, and efficient integral screening. Linear scaling is achieved not only in terms of CPU usage but also memory utilization. It uses Gaussian basis sets.

It can compute single-point energies for the following methods:

• Restricted and unrestricted Hartree-Fock (HF) theory
• Restricted and unrestricted Kohn-Sham density functional theory (DFT)
• Full Configuration-Interaction (FCI)

The following Exchange-Correlational (XC) density functionals are included:

• Local Density Approximation (LDA)
• Gradient-corrected (GGA) XC functionals BLYP, BP86, PW91 and PBE
• Hybrid XC functionals B3LYP, BHandHLYP, PBE0 and CAMB3LYP

Further features include:

• Linear response calculations (polarizabilities and excitation energies) for restricted reference densities
• External electric fields
• Electron dynamics via Time-Dependent Hartree-Fock (TDHF)

This package contains data for ergo.

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

sudo apt-get -y install ergo-data

Install ergo-data Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install ergo-data

Install ergo-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 ergo-data using aptitude by running the following command:

sudo aptitude -y install ergo-data

How To Uninstall ergo-data on Kali Linux

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

sudo apt-get remove ergo-data

Uninstall ergo-data And Its Dependencies

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

sudo apt-get -y autoremove ergo-data

Remove ergo-data Configurations and Data

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

sudo apt-get -y purge ergo-data

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

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

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

Dependencies

ergo-data have the following dependencies:

References

• ergo-data website

Summary

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