How To Install mrchem-data on Fedora 36
Introduction
In this tutorial we learn how to install mrchem-data on Fedora 36.
What is mrchem-data
MRChem is a numerical real-space code for molecular electronic structure calculations within the self-consistent field (SCF) approximations of quantum chemistry (Hartree-Fock and Density Functional Theory). This package contains the data files for MRChem.
We can use yum or dnf to install mrchem-data on Fedora 36. In this tutorial we discuss both methods but you only need to choose one of method to install mrchem-data.
Install mrchem-data 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 mrchem-data using dnf by running the following command:
sudo dnf -y install mrchem-data
Install mrchem-data 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 mrchem-data using yum by running the following command:
sudo yum -y install mrchem-data
How To Uninstall mrchem-data on Fedora 36
To uninstall only the mrchem-data package we can use the following command:
sudo dnf remove mrchem-data
mrchem-data Package Contents on Fedora 36
/usr/share/MRChem
/usr/share/MRChem/sad_basis
/usr/share/MRChem/sad_basis/Al.bas
/usr/share/MRChem/sad_basis/Al.dens
/usr/share/MRChem/sad_basis/Ar.bas
/usr/share/MRChem/sad_basis/Ar.dens
/usr/share/MRChem/sad_basis/As.bas
/usr/share/MRChem/sad_basis/As.dens
/usr/share/MRChem/sad_basis/B.bas
/usr/share/MRChem/sad_basis/B.dens
/usr/share/MRChem/sad_basis/Be.bas
/usr/share/MRChem/sad_basis/Be.dens
/usr/share/MRChem/sad_basis/Br.bas
/usr/share/MRChem/sad_basis/Br.dens
/usr/share/MRChem/sad_basis/C.bas
/usr/share/MRChem/sad_basis/C.dens
/usr/share/MRChem/sad_basis/Ca.bas
/usr/share/MRChem/sad_basis/Ca.dens
/usr/share/MRChem/sad_basis/Cl.bas
/usr/share/MRChem/sad_basis/Cl.dens
/usr/share/MRChem/sad_basis/Co.bas
/usr/share/MRChem/sad_basis/Co.dens
/usr/share/MRChem/sad_basis/Cr.bas
/usr/share/MRChem/sad_basis/Cr.dens
/usr/share/MRChem/sad_basis/Cu.bas
/usr/share/MRChem/sad_basis/Cu.dens
/usr/share/MRChem/sad_basis/F.bas
/usr/share/MRChem/sad_basis/F.dens
/usr/share/MRChem/sad_basis/Fe.bas
/usr/share/MRChem/sad_basis/Fe.dens
/usr/share/MRChem/sad_basis/Ga.bas
/usr/share/MRChem/sad_basis/Ga.dens
/usr/share/MRChem/sad_basis/Ge.bas
/usr/share/MRChem/sad_basis/Ge.dens
/usr/share/MRChem/sad_basis/H.bas
/usr/share/MRChem/sad_basis/H.dens
/usr/share/MRChem/sad_basis/He.bas
/usr/share/MRChem/sad_basis/He.dens
/usr/share/MRChem/sad_basis/K.bas
/usr/share/MRChem/sad_basis/K.dens
/usr/share/MRChem/sad_basis/Kr.bas
/usr/share/MRChem/sad_basis/Kr.dens
/usr/share/MRChem/sad_basis/Li.bas
/usr/share/MRChem/sad_basis/Li.dens
/usr/share/MRChem/sad_basis/Mg.bas
/usr/share/MRChem/sad_basis/Mg.dens
/usr/share/MRChem/sad_basis/Mn.bas
/usr/share/MRChem/sad_basis/Mn.dens
/usr/share/MRChem/sad_basis/N.bas
/usr/share/MRChem/sad_basis/N.dens
/usr/share/MRChem/sad_basis/Na.bas
/usr/share/MRChem/sad_basis/Na.dens
/usr/share/MRChem/sad_basis/Ne.bas
/usr/share/MRChem/sad_basis/Ne.dens
/usr/share/MRChem/sad_basis/Ni.bas
/usr/share/MRChem/sad_basis/Ni.dens
/usr/share/MRChem/sad_basis/O.bas
/usr/share/MRChem/sad_basis/O.dens
/usr/share/MRChem/sad_basis/P.bas
/usr/share/MRChem/sad_basis/P.dens
/usr/share/MRChem/sad_basis/S.bas
/usr/share/MRChem/sad_basis/S.dens
/usr/share/MRChem/sad_basis/Sc.bas
/usr/share/MRChem/sad_basis/Sc.dens
/usr/share/MRChem/sad_basis/Se.bas
/usr/share/MRChem/sad_basis/Se.dens
/usr/share/MRChem/sad_basis/Si.bas
/usr/share/MRChem/sad_basis/Si.dens
/usr/share/MRChem/sad_basis/Ti.bas
/usr/share/MRChem/sad_basis/Ti.dens
/usr/share/MRChem/sad_basis/V.bas
/usr/share/MRChem/sad_basis/V.dens
/usr/share/MRChem/sad_basis/Zn.bas
/usr/share/MRChem/sad_basis/Zn.dens
References
Summary
In this tutorial we learn how to install mrchem-data on Fedora 36 using yum and [dnf]((/fedora/36/dnf/).
