How To Install libnblib-gmx-dev on Debian 12
Introduction
In this tutorial we learn how to install libnblib-gmx-dev on Debian 12.
What is libnblib-gmx-dev
libnblib-gmx-dev is:
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a ??black-box?? simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level.
This package contains header files for NB-LIB. For the legacy GROMACS API, see libgromacs-dev.
There are three methods to install libnblib-gmx-dev 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 libnblib-gmx-dev Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libnblib-gmx-dev using apt-get by running the following command:
sudo apt-get -y install libnblib-gmx-dev
Install libnblib-gmx-dev Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libnblib-gmx-dev using apt by running the following command:
sudo apt -y install libnblib-gmx-dev
Install libnblib-gmx-dev 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 libnblib-gmx-dev using aptitude by running the following command:
sudo aptitude -y install libnblib-gmx-dev
How To Uninstall libnblib-gmx-dev on Debian 12
To uninstall only the libnblib-gmx-dev package we can use the following command:
sudo apt-get remove libnblib-gmx-dev
Uninstall libnblib-gmx-dev And Its Dependencies
To uninstall libnblib-gmx-dev and its dependencies that are no longer needed by Debian 12, we can use the command below:
sudo apt-get -y autoremove libnblib-gmx-dev
Remove libnblib-gmx-dev Configurations and Data
To remove libnblib-gmx-dev configuration and data from Debian 12 we can use the following command:
sudo apt-get -y purge libnblib-gmx-dev
Remove libnblib-gmx-dev configuration, data, and all of its dependencies
We can use the following command to remove libnblib-gmx-dev configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libnblib-gmx-dev
Dependencies
libnblib-gmx-dev have the following dependencies:
References
Summary
In this tutorial we learn how to install libnblib-gmx-dev package on Debian 12 using different package management tools: apt, apt-get and aptitude.
