How to Install and Uninstall CheMPS2.x86_64 Package on Fedora 38

Last updated: November 27,2024

1. Install "CheMPS2.x86_64" package

Please follow the instructions below to install CheMPS2.x86_64 on Fedora 38


    
        
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                sudo dnf update
            
                    
    
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            $
        

        
            
                sudo dnf install
            
                        
                CheMPS2.x86_64
            
                    
    
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2. Uninstall "CheMPS2.x86_64" package

This is a short guide on how to uninstall CheMPS2.x86_64 on Fedora 38:


    
        
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                sudo dnf remove
            
                        
                CheMPS2.x86_64
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo dnf autoremove
            
                    
    
    Copied

3. Information about the CheMPS2.x86_64 package on Fedora 38

Last metadata expiration check: 1:35:46 ago on Sun Mar 17 04:59:58 2024.
Available Packages
Name : CheMPS2
Version : 1.8.9
Release : 18.fc38
Architecture : x86_64
Size : 544 k
Source : CheMPS2-1.8.9-18.fc38.src.rpm
Repository : fedora
Summary : A spin-adapted implementation of DMRG for ab initio quantum chemistry
URL : https://github.com/SebWouters/CheMPS2
License : GPLv2+
Description : The CheMPS2 library provides a free open-source spin-adapted
: implementation of the density matrix renormalization group (DMRG) for ab initio
: quantum chemistry. This method allows to obtain numerical accuracy in active
: spaces beyond the capabilities of full configuration interaction. For the
: input Hamiltonian and targeted symmetry sector, the library performs successive
: DMRG sweeps according to a user-defined convergence scheme. As output, the
: library returns the minimal encountered energy as well as the 2-RDM of the
: active space. The latter allows to calculate various properties, as well as
: the gradient and Hessian for orbital rotations or nuclear displacements.