gromacs

Versatile package for molecular dynamics calculations

http://www.gromacs.org/

/api/formula-linux/gromacs.json (JSON API)

Linux formula code on GitHub

Current versions:

stable 2020.3
bottle 🍾 catalina, mojave, high_sierra

Depends on:

fftw 3.3.8 C routines to compute the Discrete Fourier Transform
gcc 5.5.0 GNU compiler collection
gsl 2.6 Numerical library for C and C++
openblas 0.3.10 Optimized BLAS library

Depends on when building from source:

cmake 3.18.2 Cross-platform make
GMXRC and other scripts installed to:
    $(brew --prefix)/share/gromacs

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