How To Install libint on CentOS 7
Introduction
In this tutorial we learn how to install libint on CentOS 7.
What is libint
LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
We can use yum or dnf to install libint on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install libint.
Install libint on CentOS 7 Using yum
Update yum database with yum using the following command.
sudo yum makecache
After updating yum database, We can install libint using yum by running the following command:
sudo yum -y install libint
Install libint 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 libint using dnf by running the following command:
sudo dnf -y install libint
How To Uninstall libint on CentOS 7
To uninstall only the libint package we can use the following command:
sudo dnf remove libint
References
Summary
In this tutorial we learn how to install libint on CentOS 7 using yum and dnf.