How To Install quantum-espresso on CentOS 7
Introduction
In this tutorial we learn how to install quantum-espresso on CentOS 7.
What is quantum-espresso
QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Serial version. Includes iotk executables.
We can use yum or dnf to install quantum-espresso on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install quantum-espresso.
Install quantum-espresso on CentOS 7 Using yum
Update yum database with yum using the following command.
sudo yum makecache
After updating yum database, We can install quantum-espresso using yum by running the following command:
sudo yum -y install quantum-espresso
Install quantum-espresso 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 quantum-espresso using dnf by running the following command:
sudo dnf -y install quantum-espresso
How To Uninstall quantum-espresso on CentOS 7
To uninstall only the quantum-espresso package we can use the following command:
sudo dnf remove quantum-espresso
References
Summary
In this tutorial we learn how to install quantum-espresso on CentOS 7 using yum and dnf.
