Linux workstation

Upstream software project

nwchem

nwchem - mpich version

About nwchem

nwchem - mpich version

This project links 16 native package records across 4 recorded operating-system releases. Compare the retained versions and architectures below, then open the package for your own release.

These are catalog observations, not a guarantee of installation, compatibility, or upstream support.

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Project pictures and package coverage

Debian 12 (Bookworm): 4 package records; Debian 13 (Trixie): 4 package records; Fedora 43: 4 package records; Fedora 44: 4 package records. Catalog coverage diagram, not an application screenshot.nwchem: recorded package coverageDebian 12 (Bookworm)4 recordsDebian 13 (Trixie)4 recordsFedora 434 recordsFedora 444 records
OpenFactory diagram of linked package records. It is not an application screenshot.

Project identity

Project
nwchem
Publisher
Not authoritatively mapped
Native package records
16
Operating systems
debian-12, debian-13, fedora-43, fedora-44
License expression
ECL-2.0
Metadata completeness
100/100 (not a software quality rating)
Homepage
Visit upstream site
Source repository
Not reported

Source-reported description

The fullest retained description is shown with its source. Distribution packaging descriptions may include downstream details.

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) There is currently no serial version built.

Description source

Packages by operating system

Compare recorded versions, then open a package for dependency, file, checksum, and repository evidence. Version strings are distribution-specific, not a ranking of newer software.

Debian 12 (Bookworm)

  1. nwchem

    Debian 12 (Bookworm) / science

    7.0.2-4

    High-performance computational chemistry software (default MPI)

    allbookworm
  2. nwchem-data

    Debian 12 (Bookworm) / science / source nwchem

    7.0.2-4

    High-performance computational chemistry software (data files)

    allbookworm
  3. nwchem-mpich

    Debian 12 (Bookworm) / science / source nwchem

    7.0.2-4

    High-performance computational chemistry software (MPICH build)

    amd64arm64bookworm
  4. nwchem-openmpi

    Debian 12 (Bookworm) / science / source nwchem

    7.0.2-4

    High-performance computational chemistry software (OpenMPI build)

    amd64arm64bookworm

Debian 13 (Trixie)

  1. nwchem

    Debian 13 (Trixie) / science

    7.2.3-10

    High-performance computational chemistry software (default MPI)

    alltrixie
  2. nwchem-data

    Debian 13 (Trixie) / science / source nwchem

    7.2.3-10

    High-performance computational chemistry software (data files)

    alltrixie
  3. nwchem-mpich

    Debian 13 (Trixie) / science / source nwchem

    7.2.3-10

    High-performance computational chemistry software (MPICH build)

    amd64arm64trixie
  4. nwchem-openmpi

    Debian 13 (Trixie) / science / source nwchem

    7.2.3-10

    High-performance computational chemistry software (OpenMPI build)

    amd64arm64trixie

Fedora 43

  1. nwchem

    Fedora 43 / Unspecified / source nwchem

    7.3.1-1.fc43

    Delivering High-Performance Computational Chemistry to Science

    aarch64x86_6443
  2. nwchem-common

    Fedora 43 / Unspecified / source nwchem

    7.3.1-1.fc43

    nwchem - common files

    noarch43
  3. nwchem-mpich

    Fedora 43 / Unspecified / source nwchem

    7.3.1-1.fc43

    nwchem - mpich version

    aarch64x86_6443
  4. nwchem-openmpi

    Fedora 43 / Unspecified / source nwchem

    7.3.1-1.fc43

    nwchem - openmpi version

    aarch64x86_6443

Fedora 44

  1. nwchem

    Fedora 44 / Unspecified / source nwchem

    7.3.1-1.fc44

    Delivering High-Performance Computational Chemistry to Science

    aarch64x86_6444
  2. nwchem-common

    Fedora 44 / Unspecified / source nwchem

    7.3.1-1.fc44

    nwchem - common files

    noarch44
  3. nwchem-mpich

    Fedora 44 / Unspecified / source nwchem

    7.3.1-1.fc44

    nwchem - mpich version

    aarch64x86_6444
  4. nwchem-openmpi

    Fedora 44 / Unspecified / source nwchem

    7.3.1-1.fc44

    nwchem - openmpi version

    aarch64x86_6444

Project resources and further reading

Mapping provenance

Only source-backed identity signals create public cross-OS links. A reviewer can later approve or dispute an inferred relationship without rewriting native package history.

No field-level source record is published yet.