How To Install libr12 on CentOS 7

In this tutorial we learn how to install libr12 on CentOS 7. libr12 is A library for computing integrals that arise in Kutzelnigg’s

Introduction

In this tutorial we learn how to install libr12 on CentOS 7.

What is libr12

libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories for electronic structure. All linear R12 methods, such as MP2-R12, contain terms in the wave function that are linear in the inter-electronic distances r_{ij} (hence the name). Appearance of several types of two-body integrals is due to the use of the approximate resolution of the identity to reduce three- and four-body integrals to products of simpler integrals.

We can use yum or dnf to install libr12 on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install libr12.

Install libr12 on CentOS 7 Using yum

Update yum database with yum using the following command.

sudo yum makecache

After updating yum database, We can install libr12 using yum by running the following command:

sudo yum -y install libr12

Install libr12 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 libr12 using dnf by running the following command:

sudo dnf -y install libr12

How To Uninstall libr12 on CentOS 7

To uninstall only the libr12 package we can use the following command:

sudo dnf remove libr12

References

Summary

In this tutorial we learn how to install libr12 on CentOS 7 using yum and dnf.