How to Install and Uninstall python3-qcengine Package on Ubuntu 21.10 (Impish Indri)

Last updated: November 07,2024

1. Install "python3-qcengine" package

Please follow the instructions below to install python3-qcengine on Ubuntu 21.10 (Impish Indri)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                python3-qcengine
            
                    
    
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2. Uninstall "python3-qcengine" package

This guide covers the steps necessary to uninstall python3-qcengine on Ubuntu 21.10 (Impish Indri):


    
        
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                sudo apt remove
            
                        
                python3-qcengine
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the python3-qcengine package on Ubuntu 21.10 (Impish Indri)

Package: python3-qcengine
Architecture: all
Version: 0.17.0-1
Priority: optional
Section: universe/python
Source: qcengine
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 925
Depends: python3-cpuinfo, python3-psutil, python3-pydantic, python3-qcelemental (>= 0.13.0), python3-yaml, python3:any
Filename: pool/universe/q/qcengine/python3-qcengine_0.17.0-1_all.deb
Size: 130396
MD5sum: 5fac68f6b54c89e8f619f6c98c303a74
SHA1: cefe5f5b4a8945aace59c6a26b787eca634feb53
SHA256: 47ff79b05aafc3c12d79530b6f5bac094cf5e2792f0fc441ecce5984bc05bb3f
SHA512: 4ae301872947d958ecd5e7e35fe0af7424cb281d588e40c2bde095a5fac849ffecb5b408fddb355a1841b754ae7d7b6f89bd8beb3008a7164e9f00a58e5f9d3b
Homepage: https://github.com/MolSSI/QCEngine
Description-en: Quantum chemistry program executor and IO standardizer
QCEngine provides a wrapper to ingest and produce QCSchema for a variety of
quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
.
Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2,
OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
Description-md5: cb6efa62bb51e651148cc47934efb1cc