How To Install ghemical on Debian 10
Introduction
In this tutorial we learn how to install ghemical on Debian 10.
What is ghemical
ghemical is:
Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available.
Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**.
There are three methods to install ghemical 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 ghemical Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install ghemical using apt-get by running the following command:
sudo apt-get -y install ghemical
Install ghemical Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install ghemical using apt by running the following command:
sudo apt -y install ghemical
Install ghemical 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 ghemical using aptitude by running the following command:
sudo aptitude -y install ghemical
How To Uninstall ghemical on Debian 10
To uninstall only the ghemical package we can use the following command:
sudo apt-get remove ghemical
Uninstall ghemical And Its Dependencies
To uninstall ghemical and its dependencies that are no longer needed by Debian 10, we can use the command below:
sudo apt-get -y autoremove ghemical
Remove ghemical Configurations and Data
To remove ghemical configuration and data from Debian 10 we can use the following command:
sudo apt-get -y purge ghemical
Remove ghemical configuration, data, and all of its dependencies
We can use the following command to remove ghemical configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge ghemical
Dependencies
ghemical have the following dependencies:
References
Summary
In this tutorial we learn how to install ghemical package on Debian 10 using different package management tools: apt, apt-get and aptitude.