How To Install gpaw-openmpi on CentOS 7

In this tutorial we learn how to install gpaw-openmpi on CentOS 7. gpaw-openmpi is gpaw - openmpi version

Introduction

In this tutorial we learn how to install gpaw-openmpi on CentOS 7.

What is gpaw-openmpi

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions. This package contains the openmpi version.

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

Install gpaw-openmpi on CentOS 7 Using yum

Update yum database with yum using the following command.

sudo yum makecache

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

sudo yum -y install gpaw-openmpi

Install gpaw-openmpi 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 gpaw-openmpi using dnf by running the following command:

sudo dnf -y install gpaw-openmpi

How To Uninstall gpaw-openmpi on CentOS 7

To uninstall only the gpaw-openmpi package we can use the following command:

sudo dnf remove gpaw-openmpi

References

Summary

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