How To Install mpqc on Fedora 36

In this tutorial we learn how to install mpqc in Fedora 36. mpqc is Ab-inito chemistry program

Introduction

In this tutorial we learn how to install mpqc on Fedora 36.

What is mpqc

MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. It runs on a wide range of architectures ranging from individual workstations to symmetric multiprocessors to massively parallel computers. Its design is object oriented, using the C++ programming language.

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

Install mpqc 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 mpqc using dnf by running the following command:

sudo dnf -y install mpqc

Install mpqc 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 mpqc using yum by running the following command:

sudo yum -y install mpqc

How To Uninstall mpqc on Fedora 36

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

sudo dnf remove mpqc

mpqc Package Contents on Fedora 36

/usr/bin/ccarun
/usr/bin/chkmpqcout
/usr/bin/molrender
/usr/bin/mpqc
/usr/bin/mpqcrun
/usr/bin/scls
/usr/bin/scpr
/usr/bin/tkmolrender
/usr/lib/.build-id
/usr/lib/.build-id/a7
/usr/lib/.build-id/a7/1b7337f96c3e1578539a8326d63b69311fbe20
/usr/lib/.build-id/c6
/usr/lib/.build-id/c6/9aad03240bf652a6c60a55fd8e494a966e434a
/usr/lib/.build-id/f8
/usr/lib/.build-id/f8/91799bf8c916c9312b58ab7cf8dbff43a2cc5a
/usr/lib/.build-id/fc
/usr/lib/.build-id/fc/a39553bf1c90cecdd19ad7ef8a281ddbe98c43
/usr/share/applications/molrender.desktop
/usr/share/doc/mpqc
/usr/share/doc/mpqc/CHANGES
/usr/share/doc/mpqc/CITATION
/usr/share/doc/mpqc/README
/usr/share/man/man1/molrender.1.gz
/usr/share/man/man1/mpqc.1.gz
/usr/share/man/man1/mpqcrun.1.gz
/usr/share/man/man1/scls.1.gz
/usr/share/man/man1/scpr.1.gz
/usr/share/molrender
/usr/share/molrender/molrender.in

References

Summary

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