How to Install and Uninstall nwchem Package on Debian 11 (Bullseye)

Last updated: May 15,2024

1. Install "nwchem" package

This is a short guide on how to install nwchem on Debian 11 (Bullseye)


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

This tutorial shows how to uninstall nwchem on Debian 11 (Bullseye):


    
        
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                sudo apt remove
            
                        
                nwchem
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the nwchem package on Debian 11 (Bullseye)

Package: nwchem
Version: 7.0.2-1
Installed-Size: 63557
Maintainer: Debichem Team
Architecture: amd64
Depends: mpi-default-bin, nwchem-data (= 7.0.2-1), libblas3 | libblas.so.3, libc6 (>= 2.29), libgcc-s1 (>= 4.0), libgfortran5 (>= 10), liblapack3 | liblapack.so.3, libopenmpi3 (>= 4.1.0), libpython3.9 (>= 3.9.0~b4), libscalapack-openmpi2.1 (>= 2.1.0)
Description: High-performance computational chemistry software
Description-md5: 899a9172099bec4f0f9b7a3cd72a69ce
Homepage: http://www.nwchem-sw.org
Tag: field::chemistry, role::program
Section: science
Priority: optional
Filename: pool/main/n/nwchem/nwchem_7.0.2-1_amd64.deb
Size: 12285044
MD5sum: aa2c4cca11fd4134d2eb732d816f8106
SHA256: 45eb58dcc79c54e778748170636147945782cde919584b6a3e1ac816e8f57b77