How To Install openkim-models on Ubuntu 20.04
Introduction
In this tutorial we learn how to install openkim-models
on Ubuntu 20.04.
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 Ubuntu 20.04. 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 Ubuntu. 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 Ubuntu 20.04
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 Ubuntu 20.04, 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 Ubuntu 20.04 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
References
Summary
In this tutorial we learn how to install openkim-models
package on Ubuntu 20.04 using different package management tools: apt
, apt-get
and aptitude
.