sci-chemistry/gromacs
The ultimate molecular dynamics simulation package
Screenshots
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gromacs-4.0~alpha ~amd64 ~ppc64 ~sparc ~x863dnow X altivec blas double-precision gsl lapack mpi +single-precision sse sse2 static xml debug
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Download License: GPL-2
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gromacs-3.3.3~alpha ~amd64 ~ppc64 ~sparc ~x863dnow X altivec blas double-precision gsl lapack mpi +single-precision sse sse2 static xml debugView Download License: GPL-2
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gromacs-3.3.1-r1alpha amd64 ppc64 sparc x863dnow X altivec double-precision mpi sse sse2 debugView Download License: GPL-2
USE Flags
3dnow
Global: Adds support for 3dnow multimedia processor instructions
X
Global: Adds support for X11
altivec
Global: Adds support for optimizations for G4 and G5/ppc970 processors
blas
Global: Adds support for the virtual/blas numerical library
double-precision
Global: more precise calculations at the expense of speed
Local: More precise calculations at the expense of speed
gsl
Global: Use the GNU scientific library for calculations
lapack
Global: Adds support for the virtual/lapack numerical library
mpi
Global: Adds MPI (Message Passing Interface) layer to the apps that support it
+single-precision
Global:
sse
Global: fast floating point optimization for PentiumIII+ class chips
sse2
Global: faster floating point optimization for SSE2 capable chips
static
Global: !!do not set this during bootstrap!! Causes binaries to be statically linked instead of dynamically
xml
Global: Add support for XML files
debug
Global: Enable extra debug codepaths, like asserts and extra output. If you want to get meaningful backtraces see http://www.gentoo.org/proj/en/qa/backtraces.xml