macOS
Homebrewverified · 100%
brew install gromacslocal Homebrew formula metadata
MacPortsverified · 94%
sudo port install gromacsMacPorts ports tree · science/gromacs/Portfile · source: api.github.com
brew / rang 2703
Installer gromacs
Consultez les chemins d'installation, exécutables, métadonnées et notes de sécurité de gromacs pour les workflows d'agents IA.
installation
Installer avec Automic Vault
Automic Vault
sudo av install brew:gromacsLinux
Debian aptverified · 92%
sudo apt install gromacsDebian stable package indexes · gromacs · source: deb.debian.org
Fedora dnfverified · 92%
sudo dnf install gromacsFedora Rawhide package metadata · gromacs · source: dl.fedoraproject.org
Nixverified · 92%
nix profile install nixpkgs#gromacsnixpkgs package indexes · gromacs · source: raw.githubusercontent.com
openSUSE zypperverified · 92%
sudo zypper install gromacsopenSUSE Tumbleweed package metadata · gromacs · source: download.opensuse.org
Source du gestionnaire de paquets
Notes de plateforme
- Aucune note de plateforme propre au paquet n'était présente.
aperçu
Résumé du paquet
Versatile package for molecular dynamics calculations
Page d'accueil
Commandes et alias
- gmx
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 5 runtime dependencies.
- Build metadata lists 2 build 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
| Commande | Type | Exposition | Note |
|---|---|---|---|
gmx | cli | global 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 gestionnaire2026.2
gestionnaire mis à jour2026-05-29
données localesok
amontnot checked
dernière version détectéenot detected
- infoRelease/tag comparison is only available for GitHub repositories.https://www.gromacs.org/none confidence
métadonnées d'installation
Métadonnées du paquet
| Package key | brew:gromacs |
|---|---|
| Version | 2026.2 |
| Package manager | Homebrew |
| Package manager page | https://formulae.brew.sh/formula/gromacs |
| Homepage | https://www.gromacs.org/ |
| Repository | https://gitlab.com/gromacs/gromacs |
| Upstream docs | https://manual.gromacs.org/ |
| License | LGPL-2.1-or-later |
| Source archive | https://ftp.gromacs.org/pub/gromacs/gromacs-2026.2.tar.gz |
| Last updated | 2026-05-29T18:37:14Z |
| Pulse | updated |
| Dependencies | fftw, libomp, lmfit, muparser, openblas |
| Build dependencies | cmake, pkgconf |
| Bottle | available (arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | not defined |
| Service | none declared |
| Caveats | GMXRC and other scripts installed to: $HOMEBREW_PREFIX/share/gromacs |
registry facts
Source database details
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | gromacs |
| Version Scheme | 0 |
| Revision | 0 |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
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%
gromacs 2025.2-1
Molecular dynamics simulator, with building and analysis tools
sudo apt install gromacs- Section: science
- Architecture: amd64
- 7 dependencies
- 3 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
gromacs-data 2025.2-1
GROMACS molecular dynamics sim, data and documentation
sudo apt install gromacs-data- Section: science
- Architecture: all
- Source Package: gromacs
- 1 dependencies
- 1 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libgromacs-dev 2025.2-1
GROMACS molecular dynamics sim, development kit
sudo apt install libgromacs-dev- Section: libdevel
- Architecture: amd64
- Source Package: gromacs
- 2 dependencies
- 4 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libgromacs10 2025.2-1
GROMACS molecular dynamics sim, shared libraries
sudo apt install libgromacs10- Section: libs
- Architecture: amd64
- Source Package: gromacs
- 14 dependencies
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libnblib-gmx-dev 2025.2-1
GROMACS molecular dynamics sim, NB-LIB development kit
sudo apt install libnblib-gmx-dev- Section: libdevel
- Architecture: amd64
- Source Package: gromacs
- 1 dependencies
- 2 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libnblib-gmx0 2025.2-1
GROMACS molecular dynamics sim, NB-LIB shared libraries
sudo apt install libnblib-gmx0- Section: libs
- Architecture: amd64
- Source Package: gromacs
- 5 dependencies
- normalized package name match
- Matched by: Gromacs
Nix95%
gromacs
nix profile install nixpkgs#gromacs- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
gromacs 2023.3-1ubuntu3
Molecular dynamics simulator, with building and analysis tools
sudo apt install gromacs- Section: universe/science
- Architecture: amd64
- 7 dependencies
- 3 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
gromacs-data 2023.3-1ubuntu3
GROMACS molecular dynamics sim, data and documentation
sudo apt install gromacs-data- Section: universe/science
- Architecture: all
- Source Package: gromacs
- 1 dependencies
- 1 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libgromacs-dev 2023.3-1ubuntu3
GROMACS molecular dynamics sim, development kit
sudo apt install libgromacs-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: gromacs
- 2 dependencies
- 4 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libgromacs8 2023.3-1ubuntu3
GROMACS molecular dynamics sim, shared libraries
sudo apt install libgromacs8- Section: universe/libs
- Architecture: amd64
- Source Package: gromacs
- 14 dependencies
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libnblib-gmx-dev 2023.3-1ubuntu3
GROMACS molecular dynamics sim, NB-LIB development kit
sudo apt install libnblib-gmx-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: gromacs
- 1 dependencies
- 2 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libnblib-gmx0 2023.3-1ubuntu3
GROMACS molecular dynamics sim, NB-LIB shared libraries
sudo apt install libnblib-gmx0- Section: universe/libs
- Architecture: amd64
- Source Package: gromacs
- 5 dependencies
- normalized package name match
- Matched by: Gromacs
dnf95%
gromacs 2026.2-1.fc45
Fast, Free and Flexible Molecular Dynamics
sudo dnf install gromacs- License: LGPL-2.1-or-later
- Category: Unspecified
- Architecture: x86_64
- Source Package: gromacs
- 9 dependencies
- 1 provides
- normalized package name match
- Matched by: Gromacs
dnf95%
gromacs-common 2026.2-1.fc45
GROMACS shared data and documentation
sudo dnf install gromacs-common- License: LGPL-2.1-or-later
- Category: Unspecified
- Architecture: noarch
- Source Package: gromacs
- 2 provides
- normalized package name match
- Matched by: Gromacs
dnf95%
gromacs-devel 2026.2-1.fc45
GROMACS header files and development libraries
sudo dnf install gromacs-devel- License: LGPL-2.1-or-later
- Category: Unspecified
- Architecture: x86_64
- Source Package: gromacs
- 5 dependencies
- 3 provides
- normalized package name match
- Matched by: Gromacs
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