gromacs

Install command: 
brew install gromacs

Versatile package for molecular dynamics calculations

https://www.gromacs.org/

License: LGPL-2.1-or-later

Development: Pull requests

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 ✅ 2026.1

Depends on:

fftw 3.3.10 C routines to compute the Discrete Fourier Transform
lmfit 10.0 C library for Levenberg-Marquardt minimization and least-squares fitting
muparser 2.3.5 C++ math expression parser library
openblas 0.3.31 Optimized BLAS library
libomp 22.1.1 LLVM's OpenMP runtime library

Depends on when building from source:

cmake 4.2.3 Cross-platform make
pkgconf 2.5.1 Package compiler and linker metadata toolkit
GMXRC and other scripts installed to:
    $HOMEBREW_PREFIX/share/gromacs

Analytics:

Installs (30 days)
gromacs 218
Installs on Request (30 days)
gromacs 204
Build Errors (30 days)
gromacs 0
Installs (90 days)
gromacs 570
Installs on Request (90 days)
gromacs 540
Installs (365 days)
gromacs 2,479
gromacs --HEAD 2
Installs on Request (365 days)
gromacs 2,448
gromacs --HEAD 2