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:

Apple Silicon sequoia ✅
sonoma ✅
ventura ✅
monterey ✅
Intel sonoma ✅
ventura ✅
monterey ✅
64-bit linux ✅

Current versions:

stable ✅ 2024.3

Depends on:

fftw 3.3.10 C routines to compute the Discrete Fourier Transform
gcc 14.2.0 GNU compiler collection
openblas 0.3.28 Optimized BLAS library

Depends on when building from source:

cmake 3.30.4 Cross-platform make
GMXRC and other scripts installed to:
    $HOMEBREW_PREFIX/share/gromacs

Analytics:

Installs (30 days)
gromacs 250
Installs on Request (30 days)
gromacs 250
Build Errors (30 days)
gromacs 2
Installs (90 days)
gromacs 616
Installs on Request (90 days)
gromacs 616
Installs (365 days)
gromacs 2,609
gromacs --HEAD 3
Installs on Request (365 days)
gromacs 2,609
gromacs --HEAD 3
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