How To Install gau2grid on Fedora 34

gau2grid is Fast computation of a gaussian function and its derivative on a grid Fast computation of a gaussian function and its derivative on a grid

Introduction

In this tutorial we learn how to install gau2grid on Fedora 34.

What is `gau2grid`

A collocation code for computing gaussians on a grid of the form out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2) This version has been built with -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian for compatibility with psi4. gau2grid 1.3.1 5.fc34 x86_64 77 k gau2grid-1.3.1-5.fc34.src.rpm fedora Fast computation of a gaussian function and its derivative on a grid https BSD A collocation code for computing gaussians on a grid of the form out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2) This version has been built with -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian for compatibility with psi4.

We can use yum or dnf to install gau2grid on Fedora 34. In this tutorial we discuss both methods but you only need to choose one of method to install gau2grid.

Install gau2grid 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 gau2grid using dnf by running the following command:

sudo dnf -y install gau2grid

Install gau2grid 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 gau2grid using yum by running the following command:

sudo yum -y install gau2grid

How To Uninstall gau2grid on Fedora 34

To uninstall only the gau2grid package we can use the following command:

sudo dnf remove gau2grid

gau2grid Package Contents on Fedora 34

/usr/lib/.build-id
/usr/lib/.build-id/26
/usr/lib/.build-id/26/130b33fda5e423fa8cd30ae4dfd145f32b0c11
/usr/lib64/libgg.so.1
/usr/share/doc/gau2grid
/usr/share/doc/gau2grid/README.md
/usr/share/licenses/gau2grid
/usr/share/licenses/gau2grid/LICENSE
/usr/lib/.build-id
/usr/lib/.build-id/3d
/usr/lib/.build-id/3d/740c32f37e9aee5ca3d247c59b7897c072a71e
/usr/lib/libgg.so.1
/usr/share/doc/gau2grid
/usr/share/doc/gau2grid/README.md
/usr/share/licenses/gau2grid
/usr/share/licenses/gau2grid/LICENSE

References

[gau2grid website](https://github.com/dgasmith/gau2grid https://github.com/dgasmith/gau2grid)

Summary

In this tutorial we learn how to install gau2grid on Fedora 34 using yum and dnf.