How To Install libr12 on Fedora 34

libr12 is A library for computing integrals that arise in Kutzelnigg’s linear R12 theories A library for computing integrals that arise in Kutzelnigg’s linear R12 theories

Introduction

In this tutorial we learn how to install libr12 on Fedora 34.

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. libr12 1.2.1 13.fc34 x86_64 2.2 M libint-1.2.1-13.fc34.src.rpm fedora A library for computing integrals that arise in Kutzelnigg’s linear R12 theories http LGPLv3 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 Fedora 34. In this tutorial we discuss both methods but you only need to choose one of method to install libr12.

Install libr12 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 libr12 using dnf by running the following command:

sudo dnf -y install libr12

Install libr12 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 libr12 using yum by running the following command:

sudo yum -y install libr12

How To Uninstall libr12 on Fedora 34

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

sudo dnf remove libr12

libr12 Package Contents on Fedora 34

/usr/lib/.build-id
/usr/lib/.build-id/6c
/usr/lib/.build-id/6c/5ce6dc57161fe87b7d25eb0ab02496445e43a5
/usr/lib64/libr12-stable.so.1
/usr/lib64/libr12-stable.so.1.0.0
/usr/share/doc/libr12
/usr/share/doc/libr12/COPYING
/usr/share/doc/libr12/COPYING.LESSER
/usr/share/doc/libr12/LICENSE
/usr/lib/.build-id
/usr/lib/.build-id/eb
/usr/lib/.build-id/eb/6f751bf53192151e1b1730b55a693ed80d9ea3
/usr/lib/libr12-stable.so.1
/usr/lib/libr12-stable.so.1.0.0
/usr/share/doc/libr12
/usr/share/doc/libr12/COPYING
/usr/share/doc/libr12/COPYING.LESSER
/usr/share/doc/libr12/LICENSE

References

[libr12 website](http://sourceforge.net/p/libint http://sourceforge.net/p/libint)

Summary

In this tutorial we learn how to install libr12 on Fedora 34 using yum and dnf.