How To Install gpaw on CentOS 7

In this tutorial we learn how to install gpaw on CentOS 7. gpaw is A grid-based real-space PAW method DFT code

Introduction

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

What is gpaw

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.

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

Install gpaw 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 using yum by running the following command:

sudo yum -y install gpaw

Install gpaw 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 using dnf by running the following command:

sudo dnf -y install gpaw

How To Uninstall gpaw on CentOS 7

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

sudo dnf remove gpaw

References

Summary

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