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Add cuda support for gromacs. (#3527)

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健美猫 2017-03-24 20:48:08 +08:00 committed by Adam J. Stewart
parent 4a36f23fa8
commit c68295df2c
1 changed files with 7 additions and 2 deletions
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9
var/spack/repos/builtin/packages/gromacs/package.py
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@ -51,14 +51,14 @@ class Gromacs(CMakePackage):
'double', default=False, 'double', default=False,
description='Produces a double precision version of the executables') description='Produces a double precision version of the executables')
variant('plumed', default=False, description='Enable PLUMED support') variant('plumed', default=False, description='Enable PLUMED support')
variant('cuda', default=False, description='Enable CUDA support')
depends_on('mpi', when='+mpi') depends_on('mpi', when='+mpi')
depends_on('plumed+mpi', when='+plumed+mpi') depends_on('plumed+mpi', when='+plumed+mpi')
depends_on('plumed~mpi', when='+plumed~mpi') depends_on('plumed~mpi', when='+plumed~mpi')
depends_on('fftw') depends_on('fftw')
depends_on('cmake@2.8.8:', type='build') depends_on('cmake@2.8.8:', type='build')
depends_on('cuda', when='+cuda')
# TODO : add GPU support
def patch(self): def patch(self):
if '+plumed' in self.spec: if '+plumed' in self.spec:
@ -82,4 +82,9 @@ def cmake_args(self):
else: else:
options.append('-DCMAKE_BUILD_TYPE:STRING=Release') options.append('-DCMAKE_BUILD_TYPE:STRING=Release')
if '+cuda' in self.spec:
options.append('-DGMX_GPU:BOOL=ON')
options.append('-DCUDA_TOOLKIT_ROOT_DIR:STRING=' +
self.spec['cuda'].prefix)
return options return options