How to Install and Uninstall bagel Package on Kali Linux

Last updated: May 12,2024

1. Install "bagel" package

Please follow the steps below to install bagel on Kali Linux


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                bagel
            
                    
    
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2. Uninstall "bagel" package

This is a short guide on how to uninstall bagel on Kali Linux:


    
        
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                sudo apt remove
            
                        
                bagel
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the bagel package on Kali Linux

Package: bagel
Version: 1.2.2-7
Installed-Size: 110334
Maintainer: Debichem Team
Architecture: amd64
Replaces: bagel-data
Depends: libblas3 | libblas.so.3, libboost-serialization1.83.0 (>= 1.83.0), libc6 (>= 2.35), libgcc-s1 (>= 4.0), liblapack3 | liblapack.so.3, libmpich12 (>= 4.1.2-2), libstdc++6 (>= 13.1), libxc9 (>= 5.0.0)
Breaks: bagel-data
Size: 36688916
SHA256: fae1cccfb3dfe65507126f92bc37b36285e09417c266fb557c1a7bf5f3ae4adf
SHA1: 95a794b5875f852a6b5e3270661f14bc01431b86
MD5sum: 08a5289e927626c81ef9ae3870048e6f
Description: Computational Chemistry Package
BAGEL (Brilliantly Advanced General Electronic-structure Library) is a
computational chemistry package aimed at large-scale parallel
computations. It specializes on highgly accurate methods and includes
density-fitting and relativistic effects for most of the methods it
implements.
.
It can compute energies and gradients for the following methods:
* Hartree-Fock (HF)
* Density-Functional Theory (DFT)
* Second-order Moeller-Plesset perturbation theory (MP2)
* Complete active space SCF (CASSCF)
* Complete active space second order perturbation theory (CASPT2)
* Extended multistate CASPT2 (XMS-CASPT2)
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Additionally, it can compute energies for the following methods:
* Configuration-interaction singles (CIS)
* Full configuration-interaction (FCI)
* Multi-state internally contracted multireference configuration-interaction
(ic-MRCI)
* N-electron valence-state second order perturbation theory (NEVPT2)
* Active-space decomposition (ASD) for dimers and for multiple sites via
density matrix renormalization group (ASD-DMRG)
.
BAGEL is able to optimize stationary geometries and conical intersections and
to compute vibrational frequencies.
.
BAGEL does not include a disk interface, so computations need to fit in
memory.
Description-md5:
Homepage: http://www.nubakery.org/
Section: science
Priority: optional
Filename: pool/main/b/bagel/bagel_1.2.2-7_amd64.deb