gromacs

Versatile package for molecular dynamics calculations

http://www.gromacs.org/

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

Formula code on GitHub

Current versions:

stable 2018.3
bottle 🍾 mojave, high_sierra, sierra, el_capitan

Options:

--with-double Enables double precision
--with-mpi Enable parallel support
--with-x11 Build with x11 support

Depends on:

fftw 3.3.8 C routines to compute the Discrete Fourier Transform
gsl 2.5 Numerical library for C and C++

Depends on when building from source:

cmake 3.12.4 Cross-platform make

Requires: :x11

Analytics:

Installs (30 days)
gromacs 104
gromacs --with-mpi 8
gromacs --with-mpi --with-x11 2
gromacs --with-x11 2
gromacs --with-double 1
gromacs --with-double --with-mpi --with-x11 1
gromacs --with-double --with-x11 1
Installs on Request (30 days)
gromacs 100
gromacs --with-mpi 8
gromacs --with-mpi --with-x11 2
gromacs --with-x11 2
gromacs --with-double 1
gromacs --with-double --with-mpi --with-x11 1
gromacs --with-double --with-x11 1
Build Errors (30 days)
gromacs --with-mpi 2
gromacs --with-x11 1
Installs (90 days)
gromacs 413
gromacs --with-mpi 21
gromacs --with-double --with-mpi --with-x11 11
gromacs --with-double 6
gromacs --with-x11 3
Installs on Request (90 days)
gromacs 387
gromacs --with-mpi 21
gromacs --with-double --with-mpi --with-x11 11
gromacs --with-double 6
gromacs --with-x11 3
Installs (365 days)
gromacs 1,563
gromacs --with-double 41
gromacs --with-double --with-mpi 37
gromacs --with-double --with-mpi --with-x11 36
gromacs --with-mpi 36
gromacs --with-x11 24
Installs on Request (365 days)
gromacs 1,379
gromacs --with-double 41
gromacs --with-double --with-mpi 36
gromacs --with-double --with-mpi --with-x11 36
gromacs --with-mpi 36
gromacs --with-x11 22
gromacs --with-mpi --with-x11 14
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