gromacs

Versatile package for molecular dynamics calculations
http://www.gromacs.org/

Current version
2018

gromacs requires the following formulae to be installed:
cmake 3.11.1 Cross-platform make
fftw 3.3.7_1 C routines to compute the Discrete Fourier Transform
gsl 2.4 Numerical library for C and C++

Recent formula history

FX Coudert gromacs 2018
FX Coudert gromacs: phase out :mpi
ilovezfs gromacs 2016.4
ilovezfs Use “squiggly” heredocs.
FX Coudert gromacs: migrate from homebrew/science

Formula code at GitHub