How To Install libgromacs-dev on Ubuntu 18.04
Introduction
In this tutorial we learn how to install libgromacs-dev on Ubuntu 18.04.
What is libgromacs-dev
libgromacs-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.
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 header files and static libraries for development purposes, plus sample Makefiles. Development components for MPI-enabled GROMACS builds also require their respective packages.
There are three methods to install libgromacs-dev on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install libgromacs-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 libgromacs-dev using apt-get by running the following command:
sudo apt-get -y install libgromacs-dev
Install libgromacs-dev Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs-dev using apt by running the following command:
sudo apt -y install libgromacs-dev
Install libgromacs-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 Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install libgromacs-dev using aptitude by running the following command:
sudo aptitude -y install libgromacs-dev
How To Uninstall libgromacs-dev on Ubuntu 18.04
To uninstall only the libgromacs-dev package we can use the following command:
sudo apt-get remove libgromacs-dev
Uninstall libgromacs-dev And Its Dependencies
To uninstall libgromacs-dev and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove libgromacs-dev
Remove libgromacs-dev Configurations and Data
To remove libgromacs-dev configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge libgromacs-dev
Remove libgromacs-dev configuration, data, and all of its dependencies
We can use the following command to remove libgromacs-dev configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs-dev
References
Summary
In this tutorial we learn how to install libgromacs-dev package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
