How To Install openkim-models on Debian 12
Introduction
In this tutorial we learn how to install openkim-models on Debian 12.
What is openkim-models
openkim-models is:
The KIM API is an Application Programming Interface for atomistic simulations. The API provides a standard for exchanging information between atomistic simulation codes (molecular dynamics, molecular statics, lattice dynamics, Monte Carlo, etc.) and interatomic models (potentials or force fields). It also includes a set of library routines for using the API with bindings for:
FORTRAN 77, Fortran 90/95, Fortran 2003 C, C++
Atomistic simulation codes that support the KIM API work seamlessly with the KIM-compliant interatomic models (KIM Models) distributed on this website. The interface is computationally efficient and often requires relatively minor changes to existing codes.
This package contains models and model-drivers for KIM-API
There are three methods to install openkim-models 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 openkim-models Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install openkim-models using apt-get by running the following command:
sudo apt-get -y install openkim-models
Install openkim-models Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install openkim-models using apt by running the following command:
sudo apt -y install openkim-models
Install openkim-models 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 openkim-models using aptitude by running the following command:
sudo aptitude -y install openkim-models
How To Uninstall openkim-models on Debian 12
To uninstall only the openkim-models package we can use the following command:
sudo apt-get remove openkim-models
Uninstall openkim-models And Its Dependencies
To uninstall openkim-models and its dependencies that are no longer needed by Debian 12, we can use the command below:
sudo apt-get -y autoremove openkim-models
Remove openkim-models Configurations and Data
To remove openkim-models configuration and data from Debian 12 we can use the following command:
sudo apt-get -y purge openkim-models
Remove openkim-models configuration, data, and all of its dependencies
We can use the following command to remove openkim-models configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge openkim-models
Dependencies
openkim-models have the following dependencies:
References
Summary
In this tutorial we learn how to install openkim-models package on Debian 12 using different package management tools: apt, apt-get and aptitude.
