# Install gromacs Versatile package for molecular dynamics calculations. Version 2026.2 via Homebrew; verified 2026-05-29. ## Install ```sh sudo av install brew:gromacs ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install gromacs ``` Evidence: local Homebrew formula metadata - MacPorts (94%): ```sh sudo port install gromacs ``` Evidence: MacPorts ports tree: science/gromacs/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1 ### Linux - Debian apt (92%): ```sh sudo apt install gromacs ``` Evidence: Debian stable package indexes: gromacs from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - dnf (92%): ```sh sudo dnf install gromacs ``` Evidence: Fedora Rawhide package metadata: gromacs from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst - Nix (92%): ```sh nix profile install nixpkgs#gromacs ``` Evidence: nixpkgs package indexes: gromacs from https://raw.githubusercontent.com/NixOS/nixpkgs/master/pkgs/top-level/all-packages.nix - zypper (92%): ```sh sudo zypper install gromacs ``` Evidence: openSUSE Tumbleweed package metadata: gromacs from https://download.opensuse.org/tumbleweed/repo/oss/repodata/155b97171d05e27afd950b6fe0d55513ff38f4597110664535bceedc680bbe6fd459f0733718dcc21dcf0efc7c8250fd1390c73d4790b42e62fb2c16a87242e5-primary.xml.zst ## Package Facts - **Package key:** brew:gromacs - **Package manager:** Homebrew - **Package manager URL:** - **Version:** 2026.2 - **Source summary:** Versatile package for molecular dynamics calculations - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** LGPL-2.1-or-later - **Source archive:** - **Last updated:** 2026-05-29T18:37:14Z - **Generated:** 2026-06-10T07:18:26+00:00 ## Executables - gmx (cli) - gmx (alias) ## Dependencies - fftw - libomp - lmfit - muparser - openblas ## Build Dependencies - cmake - pkgconf ## Install Behavior - Post-install hook: not defined - Caveats: GMXRC and other scripts installed to: $HOMEBREW_PREFIX/share/gromacs - Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux ## Freshness - Page generated: 2026-06-10 - Package-manager version: 2026.2 - Package-manager updated: 2026-05-29 - Local data status: ok - Upstream repository: https://www.gromacs.org/ - info: Release/tag comparison is only available for GitHub repositories. ## Notes de sécurité narrow executable package without higher-risk signals. - **Geiger risk:** green / low - narrow executable package without higher-risk signals ## Source Database Details - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** gromacs - **Version Scheme:** 0 - **Revision:** 0 - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** stable ## Other Package-Manager Records - Debian apt - gromacs - 2025.2-1: normalized package name match | Debian stable package indexes: gromacs from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular dynamics simulator, with building and analysis tools | https://www.gromacs.org/ - Debian apt - gromacs-data - 2025.2-1: normalized package name match | Debian stable package indexes: gromacs-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | GROMACS molecular dynamics sim, data and documentation | https://www.gromacs.org/ - Debian apt - libgromacs-dev - 2025.2-1: normalized package name match | Debian stable package indexes: libgromacs-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | GROMACS molecular dynamics sim, development kit | https://www.gromacs.org/ - Debian apt - libgromacs10 - 2025.2-1: normalized package name match | Debian stable package indexes: libgromacs10 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | GROMACS molecular dynamics sim, shared libraries | https://www.gromacs.org/ - Debian apt - libnblib-gmx-dev - 2025.2-1: normalized package name match | Debian stable package indexes: libnblib-gmx-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | GROMACS molecular dynamics sim, NB-LIB development kit | https://www.gromacs.org/ - Debian apt - libnblib-gmx0 - 2025.2-1: normalized package name match | Debian stable package indexes: libnblib-gmx0 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | GROMACS molecular dynamics sim, NB-LIB shared libraries | https://www.gromacs.org/ - Nix - gromacs: normalized package name match | nixpkgs package indexes: gromacs from https://raw.githubusercontent.com/NixOS/nixpkgs/master/pkgs/top-level/all-packages.nix - Ubuntu apt - gromacs - 2023.3-1ubuntu3: normalized package name match | Ubuntu 24.04 LTS package indexes: gromacs from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular dynamics simulator, with building and analysis tools | https://www.gromacs.org/ - Ubuntu apt - gromacs-data - 2023.3-1ubuntu3: normalized package name match | Ubuntu 24.04 LTS package indexes: gromacs-data from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | GROMACS molecular dynamics sim, data and documentation | https://www.gromacs.org/ - Ubuntu apt - libgromacs-dev - 2023.3-1ubuntu3: normalized package name match | Ubuntu 24.04 LTS package indexes: libgromacs-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | GROMACS molecular dynamics sim, development kit | https://www.gromacs.org/ - Ubuntu apt - libgromacs8 - 2023.3-1ubuntu3: normalized package name match | Ubuntu 24.04 LTS package indexes: libgromacs8 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | GROMACS molecular dynamics sim, shared libraries | https://www.gromacs.org/ - Ubuntu apt - libnblib-gmx-dev - 2023.3-1ubuntu3: normalized package name match | Ubuntu 24.04 LTS package indexes: libnblib-gmx-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | GROMACS molecular dynamics sim, NB-LIB development kit | https://www.gromacs.org/ - Ubuntu apt - libnblib-gmx0 - 2023.3-1ubuntu3: normalized package name match | Ubuntu 24.04 LTS package indexes: libnblib-gmx0 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | GROMACS molecular dynamics sim, NB-LIB shared libraries | https://www.gromacs.org/ - dnf - gromacs - 2026.2-1.fc45: normalized package name match | Fedora Rawhide package metadata: gromacs from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Fast, Free and Flexible Molecular Dynamics | http://www.gromacs.org - dnf - gromacs-common - 2026.2-1.fc45: normalized package name match | Fedora Rawhide package metadata: gromacs-common from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | GROMACS shared data and documentation | http://www.gromacs.org - dnf - gromacs-devel - 2026.2-1.fc45: normalized package name match | Fedora Rawhide package metadata: gromacs-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | GROMACS header files and development libraries | http://www.gromacs.org ## Related Links - 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