How To Install quantum-espresso-openmpi on Fedora 36

In this tutorial we learn how to install quantum-espresso-openmpi in Fedora 36. quantum-espresso-openmpi is quantum-espresso - openmpi version

Introduction

In this tutorial we learn how to install quantum-espresso-openmpi on Fedora 36.

What is `quantum-espresso-openmpi`

QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. This package contains the openmpi version.

We can use yum or dnf to install quantum-espresso-openmpi on Fedora 36. In this tutorial we discuss both methods but you only need to choose one of method to install quantum-espresso-openmpi.

Install quantum-espresso-openmpi on Fedora 36 Using dnf

Update yum database with dnf using the following command.

sudo dnf makecache --refresh

After updating yum database, We can install quantum-espresso-openmpi using dnf by running the following command:

sudo dnf -y install quantum-espresso-openmpi

Install quantum-espresso-openmpi on Fedora 36 Using yum

Update yum database with yum using the following command.

sudo yum makecache --refresh

After updating yum database, We can install quantum-espresso-openmpi using yum by running the following command:

sudo yum -y install quantum-espresso-openmpi

How To Uninstall quantum-espresso-openmpi on Fedora 36

To uninstall only the quantum-espresso-openmpi package we can use the following command:

sudo dnf remove quantum-espresso-openmpi

quantum-espresso-openmpi Package Contents on Fedora 36

/usr/lib/.build-id
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/usr/lib64/openmpi/bin/turbo_magnons.x_openmpi
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/usr/lib64/openmpi/bin/turbo_spectrum.x_openmpi
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/usr/lib64/openmpi/bin/wannier_ham.x_openmpi
/usr/lib64/openmpi/bin/wannier_plot.x_binary_openmpi
/usr/lib64/openmpi/bin/wannier_plot.x_openmpi
/usr/lib64/openmpi/bin/wfck2r.x_binary_openmpi
/usr/lib64/openmpi/bin/wfck2r.x_openmpi
/usr/lib64/openmpi/bin/wfdd.x_binary_openmpi
/usr/lib64/openmpi/bin/wfdd.x_openmpi
/usr/lib64/openmpi/bin/xspectra.x_binary_openmpi
/usr/lib64/openmpi/bin/xspectra.x_openmpi
/usr/share/licenses/quantum-espresso-openmpi
/usr/share/licenses/quantum-espresso-openmpi/License

References

quantum-espresso-openmpi website

Summary

In this tutorial we learn how to install quantum-espresso-openmpi on Fedora 36 using yum and [dnf]((/fedora/36/dnf/).