Automic VaultAutomic Vault

brew / rang 4694

Installer nwchem

Consultez les chemins d'installation, exécutables, métadonnées et notes de sécurité de nwchem pour les workflows d'agents IA.

Commande d'installationNotes de sécurité

installation

Installer avec Automic Vault

Automic Vault
Télécharger AV
sudo av install brew:nwchem

macOS

Homebrewverified · 100%
brew install nwchem

local Homebrew formula metadata

Notes de plateforme

  • Aucune note de plateforme propre au paquet n'était présente.

aperçu

Résumé du paquet

High-performance computational chemistry tools

Commandes et alias

  • nwchem

posture de sécurité

Niveau de risque : green

narrow executable package without higher-risk signals.

Risk classifier

green risk · low confidence · appliance

Why

  • narrow executable package without higher-risk signals

Signals

  • metadata:no-higher-risk-signals

Install behavior

  • No Homebrew post-install hook is recorded in formula metadata.
  • Homebrew bottle metadata is available for 6 platform targets.
  • Installs with 9 runtime dependencies.

Revue recommandée

Avant une utilisation sans surveillance par un agent, vérifiez si l'outil lit des identifiants en clair, écrit un état distant, publie des artefacts ou lance des plugins.

exécutables

Exécutables installés

CommandeTypeExpositionNote
nwchemcliglobal executable

fraîcheur

Version et fraîcheur

Ces signaux séparent l'âge de génération de la page, l'activité du gestionnaire de paquets et la comparaison avec les versions amont. Un retard de version n'est signalé que lorsqu'une URL de preuve et des versions comparables sont présentes.

page générée2026-06-10
version du gestionnaire7.3.1
gestionnaire mis à jour
données localesok
amontnot checked
dernière version détectéenot detected

https://github.com/nwchemgit/nwchem

métadonnées d'installation

Métadonnées du paquet

Package keybrew:nwchem
Version7.3.1
Package managerHomebrew
Package manager pagehttps://formulae.brew.sh/formula/nwchem
Homepagehttps://nwchemgit.github.io
Repositoryhttps://github.com/nwchemgit/nwchem
Upstream docshttps://nwchemgit.github.io/
LicenseECL-2.0
Source archivehttps://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-src.2025-11-06.tar.xz
Dependenciesgcc, hwloc, libomp, libxc, open-mpi, openblas, pkgconf, python@3.14, scalapack
Uses from macOSlibxcrypt
Bottleavailable (arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux)
Homebrew post-installnot defined
Servicenone declared

registry facts

Source database details

Source DatabaseHomebrew formula API
Taphomebrew/core
Full Namenwchem
Version Scheme0
Revision1
Bottle Stable Root URLhttps://ghcr.io/v2/homebrew/core
Deprecatedno
Disabledno
Keg Onlyno
URL Keys
  • stable

source database matches

Other package-manager records

Matches are pulled from external package-manager indexes and kept separate from local Automic Vault package links.

Debian apt95%

nwchem 7.2.3-10

High-performance computational chemistry software (default MPI)

https://nwchemgit.github.io

sudo apt install nwchem
  • Section: science
  • Architecture: all
  • 3 dependencies
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

nwchem-data 7.2.3-10

High-performance computational chemistry software (data files)

https://nwchemgit.github.io

sudo apt install nwchem-data
  • Section: science
  • Architecture: all
  • Source Package: nwchem
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

nwchem-mpich 7.2.3-10

High-performance computational chemistry software (MPICH build)

https://nwchemgit.github.io

sudo apt install nwchem-mpich
  • Section: science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem-mpich from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

nwchem-openmpi 7.2.3-10

High-performance computational chemistry software (OpenMPI build)

https://nwchemgit.github.io

sudo apt install nwchem-openmpi
  • Section: science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem-openmpi from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Nix95%

nwchem

nix profile install nixpkgs#nwchem
  • normalized package name match
  • Matched by: Nwchem
nixpkgs package indexes · raw.githubusercontent.com · nixpkgs package indexes: nwchem from https://raw.githubusercontent.com/NixOS/nixpkgs/master/pkgs/top-level/all-packages.nix
Ubuntu apt95%

nwchem 7.2.2-1build3

High-performance computational chemistry software (default MPI)

https://nwchemgit.github.io

sudo apt install nwchem
  • Section: universe/science
  • Architecture: all
  • 3 dependencies
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

nwchem-data 7.2.2-1build3

High-performance computational chemistry software (data files)

https://nwchemgit.github.io

sudo apt install nwchem-data
  • Section: universe/science
  • Architecture: all
  • Source Package: nwchem
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem-data from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

nwchem-mpich 7.2.2-1build3

High-performance computational chemistry software (MPICH build)

https://nwchemgit.github.io

sudo apt install nwchem-mpich
  • Section: universe/science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem-mpich from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

nwchem-openmpi 7.2.2-1build3

High-performance computational chemistry software (OpenMPI build)

https://nwchemgit.github.io

sudo apt install nwchem-openmpi
  • Section: universe/science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem-openmpi from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
dnf95%

nwchem 7.3.1-1.fc44

Delivering High-Performance Computational Chemistry to Science

https://nwchemgit.github.io/

sudo dnf install nwchem
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: nwchem
  • 3 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

nwchem-common 7.3.1-1.fc44

nwchem - common files

https://nwchemgit.github.io/

sudo dnf install nwchem-common
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: noarch
  • Source Package: nwchem
  • 2 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem-common from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

nwchem-mpich 7.3.1-1.fc44

nwchem - mpich version

https://nwchemgit.github.io/

sudo dnf install nwchem-mpich
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: nwchem
  • 19 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem-mpich from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

nwchem-openmpi 7.3.1-1.fc44

nwchem - openmpi version

https://nwchemgit.github.io/

sudo dnf install nwchem-openmpi
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: nwchem
  • 21 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem-openmpi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst

graphe de paquets

Les liens viennent du graphe local de relations entre paquets, des suppléments, des dépendances, des correspondances d'écosystèmes et de l'appartenance aux hubs.

Outils liés

  • python@3.14Runtime dependency declared by Homebrew.
  • pkgconfRuntime dependency declared by Homebrew.
  • gccRuntime dependency declared by Homebrew.
  • hwlocRuntime dependency declared by Homebrew.
  • open-mpiRuntime dependency declared by Homebrew.
  • libxcRuntime dependency declared by Homebrew.

Même workflow

  • cp2kShares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, quantum-chemistry.
  • votcaShares av.db curated category or tags: cli, computational-chemistry, molecular-simulation, science.
  • gromacsShares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, science.
  • kim-apiShares av.db curated category or tags: cli, fortran, molecular-simulation, science.
  • opencoarraysShares av.db curated category or tags: cli, fortran, hpc, science.
  • pmixShares av.db curated category or tags: cli, hpc, science.

piste source

Généré depuis les données du dépôt

Cette page est servie par av-web depuis l'artéfact SQLite privé des paquets généré par scripts/generate-pkg-sqlite.py.

Sources utilisées

  • Geiger risk classifier
  • Nucleus package database
  • av.db category and tag curation
  • cross-ecosystem install command graph
  • external package-manager database matches
  • package relationship graph
  • package version freshness
  • package-page enrichment