How To Install bagel-data on Debian 9

In this tutorial we learn how to install bagel-data on Debian 9. bagel-data is Computational Chemistry Package (data files)

Introduction

In this tutorial we learn how to install bagel-data on Debian 9.

What is bagel-data

bagel-data is:

BAGEL (Brilliantly Advanced General Electronic-structure Library) is a computational chemistry package aimed at large-scale parallel computations. It specializes on highgly accurate methods and includes density-fitting and relativistic effects for most of the methods it implements.

This package contains the basis sets.

There are three methods to install bagel-data on Debian 9. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.

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

sudo apt-get -y install bagel-data

Install bagel-data Using apt

Update apt database with apt using the following command.

sudo apt update

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

sudo apt -y install bagel-data

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

sudo aptitude -y install bagel-data

How To Uninstall bagel-data on Debian 9

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

sudo apt-get remove bagel-data

Uninstall bagel-data And Its Dependencies

To uninstall bagel-data and its dependencies that are no longer needed by Debian 9, we can use the command below:

sudo apt-get -y autoremove bagel-data

Remove bagel-data Configurations and Data

To remove bagel-data configuration and data from Debian 9 we can use the following command:

sudo apt-get -y purge bagel-data

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

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

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

Dependencies

bagel-data have the following dependencies:

References

Summary

In this tutorial we learn how to install bagel-data package on Debian 9 using different package management tools: apt, apt-get and aptitude.