How to Install and Uninstall bagel Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: November 22,2024

1. Install "bagel" package

This guide covers the steps necessary to install bagel on Ubuntu 16.04 LTS (Xenial Xerus)


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

This tutorial shows how to uninstall bagel on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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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 Ubuntu 16.04 LTS (Xenial Xerus)

Package: bagel
Priority: optional
Section: universe/science
Installed-Size: 52331
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Version: 0.0~git20150902-1ubuntu2
Depends: libblas3 | libblas.so.3, libboost-regex1.58.0, libboost-serialization1.58.0, libc6 (>= 2.14), libgcc1 (>= 1:4.0), liblapack3 | liblapack.so.3, libmpich12, libstdc++6 (>= 5.2), libxc1, bagel-data
Filename: pool/universe/b/bagel/bagel_0.0~git20150902-1ubuntu2_amd64.deb
Size: 17892782
MD5sum: 8345c3b56e7662ccb11dcca4012a28a3
SHA1: 526725e2f381d12e5839c9fe51c900a71234223a
SHA256: 33518e1e48821b97377cc6cf5563604cedd424dbb1fb9c0ea0cce8a08401acf5
Description-en: 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.
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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)
.
Additionally, it can compute energies for the following methods:
* Mult-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 does not include a disk interface, so computations need to fit in
memory.
Description-md5: f637d7ba8d64e96b3b3c3a2a25af5f46
Homepage: http://www.nubakery.org/
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu