How To Install gromacs-devel on CentOS 7

In this tutorial we learn how to install gromacs-devel on CentOS 7. gromacs-devel is GROMACS header files and development libraries

Introduction

In this tutorial we learn how to install gromacs-devel on CentOS 7.

What is gromacs-devel

GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package contains header files and development libraries for the GROMACS molecular dynamics software. You need it if you want to write your own analysis programs.

We can use yum or dnf to install gromacs-devel on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install gromacs-devel.

Install gromacs-devel on CentOS 7 Using yum

Update yum database with yum using the following command.

sudo yum makecache

After updating yum database, We can install gromacs-devel using yum by running the following command:

sudo yum -y install gromacs-devel

Install gromacs-devel on CentOS 7 Using dnf

If you don’t have dnf installed you can install DNF on CentOS 7 first. Update yum database with dnf using the following command.

sudo dnf makecache

After updating yum database, We can install gromacs-devel using dnf by running the following command:

sudo dnf -y install gromacs-devel

How To Uninstall gromacs-devel on CentOS 7

To uninstall only the gromacs-devel package we can use the following command:

sudo dnf remove gromacs-devel

References

Summary

In this tutorial we learn how to install gromacs-devel on CentOS 7 using yum and dnf.