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		 sequoia ✅
sonoma ✅
ventura ✅
macOS on
Intel		 sonoma ✅
ventura ✅
Linux ARM64 ✅
x86_64 ✅

Current versions:

stable ✅ 2025.1

Depends on:

fftw 3.3.10 C routines to compute the Discrete Fourier Transform
gcc 15.1.0 GNU compiler collection
lmfit 9.0 C library for Levenberg-Marquardt minimization and least-squares fitting
openblas 0.3.29 Optimized BLAS library

Depends on when building from source:

cmake 4.0.2 Cross-platform make
pkgconf 2.4.3 Package compiler and linker metadata toolkit

Conflicts with: muparser

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

Analytics:

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gromacs 188
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gromacs 4
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gromacs 819
gromacs --HEAD 2
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gromacs 818
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gromacs 2,747
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gromacs 2,746
gromacs --HEAD 5
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