How To Install libint on Fedora 34

libint is A library for computing electron repulsion integrals efficiently A library for computing electron repulsion integrals efficiently

Introduction

In this tutorial we learn how to install libint on Fedora 34.

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. libint 1.2.1 13.fc34 x86_64 30 M libint-1.2.1-13.fc34.src.rpm fedora A library for computing electron repulsion integrals efficiently http LGPLv3 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 Fedora 34. In this tutorial we discuss both methods but you only need to choose one of method to install libint.

Install libint on Fedora 34 Using dnf

Update yum database with dnf using the following command.

sudo dnf makecache --refresh

The output should look something like this:

Fedora 34 - x86_64                               20 kB/s | 6.6 kB     00:00
Fedora 34 openh264 (From Cisco) - x86_64        1.4 kB/s | 989  B     00:00
Fedora Modular 34 - x86_64                       68 kB/s | 6.5 kB     00:00
Fedora 34 - x86_64 - Updates                    3.5 kB/s | 6.2 kB     00:01
Fedora Modular 34 - x86_64 - Updates             17 kB/s | 5.9 kB     00:00
Metadata cache created.

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

sudo dnf -y install libint

Install libint on Fedora 34 Using yum

Update yum database with yum using the following command.

sudo yum makecache --refresh

The output should look something like this:

Fedora 34 - x86_64                               20 kB/s | 6.6 kB     00:00
Fedora 34 openh264 (From Cisco) - x86_64        1.4 kB/s | 989  B     00:00
Fedora Modular 34 - x86_64                       68 kB/s | 6.5 kB     00:00
Fedora 34 - x86_64 - Updates                    3.5 kB/s | 6.2 kB     00:01
Fedora Modular 34 - x86_64 - Updates             17 kB/s | 5.9 kB     00:00
Metadata cache created.

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

sudo yum -y install libint

How To Uninstall libint on Fedora 34

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

sudo dnf remove libint

libint Package Contents on Fedora 34

/usr/lib/.build-id
/usr/lib/.build-id/03
/usr/lib/.build-id/03/c5e38f95dabccb0e267f6fe70ec17bfcd041c7
/usr/lib/libint-stable.so.1
/usr/lib/libint-stable.so.1.0.0
/usr/share/doc/libint
/usr/share/doc/libint/COPYING
/usr/share/doc/libint/COPYING.LESSER
/usr/share/doc/libint/LICENSE
/usr/lib/.build-id
/usr/lib/.build-id/8d
/usr/lib/.build-id/8d/cb19bd321ca7da1282bd397175705fc85b7eed
/usr/lib64/libint-stable.so.1
/usr/lib64/libint-stable.so.1.0.0
/usr/share/doc/libint
/usr/share/doc/libint/COPYING
/usr/share/doc/libint/COPYING.LESSER
/usr/share/doc/libint/LICENSE

References

[libint website](http://sourceforge.net/p/libint http://sourceforge.net/p/libint)

Summary

In this tutorial we learn how to install libint on Fedora 34 using yum and dnf.