How To Install mopac on Debian 12
Introduction
In this tutorial we learn how to install mopac on Debian 12.
What is mopac
mopac is:
MOPAC is a general-purpose semiempirical molecular orbital package for the study of solid state and molecular structures and reactions.
The semiempirical Hamiltonians MNDO, AM1, PM3, PM6, RM1, MNDO-d and PM7 are used in the electronic part of the calculation to obtain molecular orbitals, the heat of formation and its derivative with respect to molecular geometry.
Using these results MOPAC calculates the vibrational spectra, thermodynamic quantities, isotopic substitution effects and force constants for molecules, radicals, ions, and polymers. For studying chemical reactions, a transition state location routine and two transition state optimizing routines are available. For users to get the most out of the program, they must understand how the program works, how to enter data, how to interpret the results, and what to do when things go wrong.
There are three methods to install mopac on Debian 12. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install mopac Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install mopac using apt-get by running the following command:
sudo apt-get -y install mopac
Install mopac Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install mopac using apt by running the following command:
sudo apt -y install mopac
Install mopac 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 mopac using aptitude by running the following command:
sudo aptitude -y install mopac
How To Uninstall mopac on Debian 12
To uninstall only the mopac package we can use the following command:
sudo apt-get remove mopac
Uninstall mopac And Its Dependencies
To uninstall mopac and its dependencies that are no longer needed by Debian 12, we can use the command below:
sudo apt-get -y autoremove mopac
Remove mopac Configurations and Data
To remove mopac configuration and data from Debian 12 we can use the following command:
sudo apt-get -y purge mopac
Remove mopac configuration, data, and all of its dependencies
We can use the following command to remove mopac configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge mopac
Dependencies
mopac have the following dependencies:
References
Summary
In this tutorial we learn how to install mopac package on Debian 12 using different package management tools: apt, apt-get and aptitude.
