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Commit 4ddba5f7 authored by Adam J. Stewart's avatar Adam J. Stewart
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Add CUDA and HOOMD-blue packages

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from spack import *
from glob import glob
import os
class Cuda(Package):
"""CUDA is a parallel computing platform and programming model invented by
NVIDIA. It enables dramatic increases in computing performance by harnessing
the power of the graphics processing unit (GPU).
Note: NVIDIA does not provide a download URL for CUDA so you will need to
download it yourself. Go to https://developer.nvidia.com/cuda-downloads
and select your Operating System, Architecture, Distribution, and Version.
For the Installer Type, select runfile and click Download. Spack will search
your current directory for this file. Alternatively, add this file to a
mirror so that Spack can find it. For instructions on how to set up a mirror,
see http://software.llnl.gov/spack/mirrors.html"""
homepage = "http://www.nvidia.com/object/cuda_home_new.html"
url = "file://%s/cuda_7.5.18_linux.run" % os.getcwd()
version('7.5.18', '4b3bcecf0dfc35928a0898793cf3e4c6', expand=False)
def install(self, spec, prefix):
runfile = glob(os.path.join(self.stage.path, 'cuda*.run'))[0]
chmod = which('chmod')
chmod('+x', runfile)
runfile = which(runfile)
# Note: NVIDIA does not officially support many newer versions of compilers.
# For example, on CentOS 6, you must use GCC 4.4.7 or older.
# The --override flag disables these checks. See:
# http://docs.nvidia.com/cuda/cuda-installation-guide-linux/#system-requirements
# for details.
runfile(
'--silent', # disable interactive prompts
'--verbose', # create verbose log file
'--override', # ignore compiler checks
'--toolkit', # install CUDA Toolkit
'--toolkitpath=%s' % prefix
)
from spack import *
import os
class HoomdBlue(Package):
"""HOOMD-blue is a general-purpose particle simulation toolkit. It scales
from a single CPU core to thousands of GPUs.
You define particle initial conditions and interactions in a high-level
python script. Then tell HOOMD-blue how you want to execute the job and it
takes care of the rest. Python job scripts give you unlimited flexibility
to create custom initialization routines, control simulation parameters,
and perform in situ analysis."""
homepage = "https://codeblue.umich.edu/hoomd-blue/index.html"
url = "https://bitbucket.org/glotzer/hoomd-blue/get/v1.3.3.tar.bz2"
version('1.3.3', '1469ef4531dc14b579c0acddbfe6a273')
variant('mpi', default=False, description='Compile with MPI enabled')
variant('cuda', default=False, description='Compile with CUDA Toolkit')
variant('doc', default=False, description='Generate documentation')
extends('python')
depends_on('py-numpy')
depends_on('boost+python')
depends_on('cmake')
depends_on('mpi', when='+mpi')
depends_on('cuda', when='+cuda')
depends_on('doxygen', when='+doc')
def install(self, spec, prefix):
cmake_args = [
'-DPYTHON_EXECUTABLE=%s/python' % spec['python'].prefix.bin,
'-DBOOST_ROOT=%s' % spec['boost' ].prefix
]
# MPI support
if '+mpi' in spec:
os.environ['MPI_HOME'] = spec['mpi'].prefix
cmake_args.append('-DENABLE_MPI=ON')
else:
cmake_args.append('-DENABLE_MPI=OFF')
# CUDA support
if '+cuda' in spec:
cmake_args.append('-DENABLE_CUDA=ON')
else:
cmake_args.append('-DENABLE_CUDA=OFF')
# CUDA-aware MPI library support
if '+cuda' in spec and '+mpi' in spec:
cmake_args.append('-DENABLE_MPI_CUDA=ON')
else:
cmake_args.append('-DENABLE_MPI_CUDA=OFF')
# Documentation
if '+doc' in spec:
cmake_args.append('-DENABLE_DOXYGEN=ON')
else:
cmake_args.append('-DENABLE_DOXYGEN=OFF')
cmake_args.extend(std_cmake_args)
cmake('.', *cmake_args)
make()
make("install")
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