gromacs

Install command: 
brew install gromacs

Versatile package for molecular dynamics calculations

https://www.gromacs.org/

License: LGPL-2.1-or-later

Formula JSON API: /api/formula/gromacs.json

Formula code: gromacs.rb on GitHub

Bottle (binary package) installation support provided for:

macOS on
Apple Silicon		 tahoe ✅
sequoia ✅
sonoma ✅
macOS on
Intel		 sonoma ✅
Linux ARM64 ✅
x86_64 ✅

Current versions:

stable ✅ 2025.3

Revision: 1

Depends on:

fftw 3.3.10 C routines to compute the Discrete Fourier Transform
gcc 15.2.0 GNU compiler collection
lmfit 10.0 C library for Levenberg-Marquardt minimization and least-squares fitting
openblas 0.3.30 Optimized BLAS library

Depends on when building from source:

cmake 4.1.1 Cross-platform make
pkgconf 2.5.1 Package compiler and linker metadata toolkit

Conflicts with: muparser

GMXRC and other scripts installed to:
    $HOMEBREW_PREFIX/share/gromacs

Analytics:

Installs (30 days)
gromacs 265
Installs on Request (30 days)
gromacs 265
Build Errors (30 days)
gromacs 0
Installs (90 days)
gromacs 665
Installs on Request (90 days)
gromacs 665
Installs (365 days)
gromacs 2,785
gromacs --HEAD 5
Installs on Request (365 days)
gromacs 2,784
gromacs --HEAD 5