How To Install mpqc on Fedora 34
Introduction
In this tutorial we learn how to install mpqc on Fedora 34.
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 34. In this tutorial we discuss both methods but you only need to choose one of method to install mpqc.
Install mpqc 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 mpqc using dnf by running the following command:
sudo dnf -y install mpqc
Install mpqc 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 mpqc using yum by running the following command:
sudo yum -y install mpqc
How To Uninstall mpqc on Fedora 34
To uninstall only the mpqc package we can use the following command:
sudo dnf remove mpqc
mpqc Package Contents on Fedora 34
/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/35
/usr/lib/.build-id/35/dea8970202be44e57ad313807ab95472f3f2fd
/usr/lib/.build-id/4e
/usr/lib/.build-id/4e/237adc141f85abe3404725084bad4fd45f46f9
/usr/lib/.build-id/60
/usr/lib/.build-id/60/c0debe13b7f827a2e6f92d5c48c395c7805a78
/usr/lib/.build-id/f2
/usr/lib/.build-id/f2/0e4e5cfa2fed27da2e2cba2e6b513087defa2a
/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 34 using yum and dnf.