How to Install and Uninstall nwchem-openmpi Package on Debian 12 (Bookworm)

Last updated: May 20,2024

You can also install and uninstall the nwchem-openmpi on the following distributions in the same way, as they are all based on the Debian system

MX Linux 23
SparkyLinux

1. Install "nwchem-openmpi" package

Please follow the guidelines below to install nwchem-openmpi on Debian 12 (Bookworm)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                nwchem-openmpi
            
                    
    
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2. Uninstall "nwchem-openmpi" package

Please follow the step by step instructions below to uninstall nwchem-openmpi on Debian 12 (Bookworm):


    
        
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                sudo apt remove
            
                        
                nwchem-openmpi
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the nwchem-openmpi package on Debian 12 (Bookworm)

Package: nwchem-openmpi
Source: nwchem
Version: 7.0.2-4
Installed-Size: 63957
Maintainer: Debichem Team
Architecture: amd64
Depends: openmpi-bin, nwchem-data (= 7.0.2-4), libblas3 | libblas.so.3, libc6 (>= 2.35), libgcc-s1 (>= 4.0), libgfortran5 (>= 10), liblapack3 | liblapack.so.3, libopenmpi3 (>= 4.1.4), libpython3.11 (>= 3.11.0), libscalapack-openmpi2.2 (>= 2.2.1)
Description: High-performance computational chemistry software (OpenMPI build)
Description-md5: eed3daa9b150455e24c0e1cb76475134
Multi-Arch: allowed
Homepage: https://nwchemgit.github.io
Section: science
Priority: optional
Filename: pool/main/n/nwchem/nwchem-openmpi_7.0.2-4_amd64.deb
Size: 12648956
MD5sum: bddce3fa0bee0371fc497859cb3d85ef
SHA256: 684859b122a700b54c8ca506595b451924d4379582b37e2cc0a9b3376f1c7408