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-rw-r--r--var/spack/repos/builtin/packages/cuda/package.py47
-rw-r--r--var/spack/repos/builtin/packages/hoomd-blue/package.py73
2 files changed, 120 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/cuda/package.py b/var/spack/repos/builtin/packages/cuda/package.py
new file mode 100644
index 0000000000..ea083d8651
--- /dev/null
+++ b/var/spack/repos/builtin/packages/cuda/package.py
@@ -0,0 +1,47 @@
+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
+
+ Note: This package does not currently install the drivers necessary to run
+ CUDA. These will need to be installed manually. See:
+ http://docs.nvidia.com/cuda/cuda-getting-started-guide-for-linux for details."""
+
+ homepage = "http://www.nvidia.com/object/cuda_home_new.html"
+
+ version('7.5.18', '4b3bcecf0dfc35928a0898793cf3e4c6', expand=False,
+ url="file://%s/cuda_7.5.18_linux.run" % os.getcwd())
+ version('6.5.14', '90b1b8f77313600cc294d9271741f4da', expand=False,
+ url="file://%s/cuda_6.5.14_linux_64.run" % os.getcwd())
+
+
+ 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. See:
+ # http://docs.nvidia.com/cuda/cuda-installation-guide-linux/#system-requirements
+ # for details.
+
+ runfile(
+ '--silent', # disable interactive prompts
+ '--verbose', # create verbose log file
+ '--toolkit', # install CUDA Toolkit
+ '--toolkitpath=%s' % prefix
+ )
+
diff --git a/var/spack/repos/builtin/packages/hoomd-blue/package.py b/var/spack/repos/builtin/packages/hoomd-blue/package.py
new file mode 100644
index 0000000000..d310b7687a
--- /dev/null
+++ b/var/spack/repos/builtin/packages/hoomd-blue/package.py
@@ -0,0 +1,73 @@
+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=True, description='Compile with MPI enabled')
+ variant('cuda', default=True, description='Compile with CUDA Toolkit')
+ variant('doc', default=True, 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')
+
+ # There may be a bug in the MPI-CUDA code. See:
+ # https://groups.google.com/forum/#!msg/hoomd-users/2griTESmc5I/E69s_M5fDwAJ
+ # This prevented "make test" from passing for me.
+ 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("test")
+ make("install")