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Add latest version of HOOMD-blue (#3889)

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Adam J. Stewart 2017-04-19 23:24:32 -05:00 committed by Todd Gamblin
parent f4858cb7a7
commit f51af42bc6
1 changed files with 40 additions and 21 deletions
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61
var/spack/repos/builtin/packages/hoomd-blue/package.py
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@ -26,7 +26,7 @@
import os import os
class HoomdBlue(Package): class HoomdBlue(CMakePackage):
"""HOOMD-blue is a general-purpose particle simulation toolkit. It scales """HOOMD-blue is a general-purpose particle simulation toolkit. It scales
from a single CPU core to thousands of GPUs. from a single CPU core to thousands of GPUs.
@ -36,28 +36,52 @@ class HoomdBlue(Package):
to create custom initialization routines, control simulation parameters, to create custom initialization routines, control simulation parameters,
and perform in situ analysis.""" and perform in situ analysis."""
homepage = "https://codeblue.umich.edu/hoomd-blue/index.html" homepage = "http://glotzerlab.engin.umich.edu/hoomd-blue/"
url = "https://bitbucket.org/glotzer/hoomd-blue/get/v1.3.3.tar.bz2" git = "https://bitbucket.org/glotzer/hoomd-blue"
version('1.3.3', '1469ef4531dc14b579c0acddbfe6a273') # TODO: There is a bug in Spack that requires a url to be defined
# even if it isn't used. These URLs can hopefully be removed someday.
url = "https://bitbucket.org/glotzer/hoomd-blue/get/v2.1.6.tar.bz2"
list_url = "https://bitbucket.org/glotzer/hoomd-blue/downloads/?tab=tags"
variant('mpi', default=True, description='Compile with MPI enabled') version('develop', git=git, submodules=True)
variant('cuda', default=True, description='Compile with CUDA Toolkit')
variant('doc', default=True, description='Generate documentation') # Bitbucket has tarballs for each release, but they cannot be built.
# The tarball doesn't come with the git submodules, nor does it come
# with a .git directory, causing the build to fail. As a workaround,
# clone a specific tag from Bitbucket instead of using the tarballs.
# https://bitbucket.org/glotzer/hoomd-blue/issues/238
version('2.1.6', git=git, tag='v2.1.6', submodules=True)
variant('mpi', default=True, description='Compile with MPI enabled')
variant('cuda', default=True, description='Compile with CUDA Toolkit')
variant('doc', default=False, description='Generate documentation')
# HOOMD-blue requires C++11 support, which is only available in GCC 4.7+
# https://bitbucket.org/glotzer/hoomd-blue/issues/238
# https://gcc.gnu.org/projects/cxx-status.html
conflicts('%gcc@:4.6')
# HOOMD-blue uses hexadecimal floats, which are not technically part of
# the C++11 standard. GCC 6.0+ produces an error when this happens.
# https://bitbucket.org/glotzer/hoomd-blue/issues/239
# https://bugzilla.redhat.com/show_bug.cgi?id=1321986
conflicts('%gcc@6.0:')
extends('python') extends('python')
depends_on('py-numpy', type=('build', 'run')) depends_on('python@2.7:')
depends_on('boost+python') depends_on('py-numpy@1.7:', type=('build', 'run'))
depends_on('cmake', type='build') depends_on('cmake@2.8.0:', type='build')
depends_on('pkg-config', type='build')
depends_on('mpi', when='+mpi') depends_on('mpi', when='+mpi')
depends_on('cuda', when='+cuda') depends_on('cuda@7.0:', when='+cuda')
depends_on('doxygen', when='+doc', type='build') depends_on('doxygen@1.8.5:', when='+doc', type='build')
def install(self, spec, prefix): def cmake_args(self):
spec = self.spec
cmake_args = [ cmake_args = [
'-DPYTHON_EXECUTABLE=%s/python' % spec['python'].prefix.bin, '-DPYTHON_EXECUTABLE={0}/python'.format(spec['python'].prefix.bin),
'-DBOOST_ROOT=%s' % spec['boost'].prefix
] ]
# MPI support # MPI support
@ -90,9 +114,4 @@ def install(self, spec, prefix):
else: else:
cmake_args.append('-DENABLE_DOXYGEN=OFF') cmake_args.append('-DENABLE_DOXYGEN=OFF')
cmake_args.extend(std_cmake_args) return cmake_args
cmake('.', *cmake_args)
make()
make("test")
make("install")