How To Install libgromacs7 on Debian 12
Introduction
In this tutorial we learn how to install libgromacs7 on Debian 12.
What is libgromacs7
libgromacs7 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.
It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.
This package contains the shared library, libgromacs.
There are three methods to install libgromacs7 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 libgromacs7 Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libgromacs7 using apt-get by running the following command:
sudo apt-get -y install libgromacs7
Install libgromacs7 Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs7 using apt by running the following command:
sudo apt -y install libgromacs7
Install libgromacs7 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 libgromacs7 using aptitude by running the following command:
sudo aptitude -y install libgromacs7
How To Uninstall libgromacs7 on Debian 12
To uninstall only the libgromacs7 package we can use the following command:
sudo apt-get remove libgromacs7
Uninstall libgromacs7 And Its Dependencies
To uninstall libgromacs7 and its dependencies that are no longer needed by Debian 12, we can use the command below:
sudo apt-get -y autoremove libgromacs7
Remove libgromacs7 Configurations and Data
To remove libgromacs7 configuration and data from Debian 12 we can use the following command:
sudo apt-get -y purge libgromacs7
Remove libgromacs7 configuration, data, and all of its dependencies
We can use the following command to remove libgromacs7 configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs7
Dependencies
libgromacs7 have the following dependencies:
- libblas3
- libc6
- libfftw3-double3
- libfftw3-single3
- libgcc-s1
- libgomp1
- libhwloc15
- liblapack3
- libmuparser2v5
- libopenmpi3
- libstdc++6
- zlib1g
References
Summary
In this tutorial we learn how to install libgromacs7 package on Debian 12 using different package management tools: apt, apt-get and aptitude.
