How To Install libint2 on CentOS 7
Introduction
In this tutorial we learn how to install libint2
on CentOS 7.
What is libint2
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 libint2
on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install libint2.
Install libint2 on CentOS 7 Using yum
Update yum database with yum
using the following command.
After updating yum database, We can install libint2
using yum
by running the following command:
Install libint2 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.
After updating yum database, We can install libint2
using dnf
by running the following command:
How To Uninstall libint2 on CentOS 7
To uninstall only the libint2
package we can use the following command:
References
Summary
In this tutorial we learn how to install libint2
on CentOS 7 using yum
and dnf
.