Add scons support, .zip support, and Cantera package

This commit is contained in:
Adam J. Stewart
2016-05-26 15:22:17 -05:00
parent 8bdb6695c7
commit 2220784eda
9 changed files with 615 additions and 62 deletions

View File

@@ -0,0 +1,149 @@
##############################################################################
# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
# Produced at the Lawrence Livermore National Laboratory.
#
# This file is part of Spack.
# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
# LLNL-CODE-647188
#
# For details, see https://github.com/llnl/spack
# Please also see the LICENSE file for our notice and the LGPL.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU Lesser General Public License (as
# published by the Free Software Foundation) version 2.1, February 1999.
#
# This program is distributed in the hope that it will be useful, but
# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
# conditions of the GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
import spack
import os
class Cantera(Package):
"""Cantera is a suite of object-oriented software tools for problems
involving chemical kinetics, thermodynamics, and/or transport processes."""
homepage = "http://www.cantera.org/docs/sphinx/html/index.html"
url = "https://github.com/Cantera/cantera/archive/v2.2.1.tar.gz"
version('2.2.1', '9d1919bdef39ddec54485fc8a741a3aa')
variant('lapack', default=True, description='Build with external BLAS/LAPACK libraries')
variant('threadsafe', default=True, description='Build threadsafe, requires Boost')
variant('sundials', default=True, description='Build with external Sundials')
variant('python', default=False, description='Build the Cantera Python module')
variant('matlab', default=False, description='Build the Cantera Matlab toolbox')
# Required dependencies
depends_on('scons')
# Recommended dependencies
depends_on('blas', when='+lapack')
depends_on('lapack', when='+lapack')
depends_on('boost', when='+threadsafe')
depends_on('sundials', when='+sundials') # must be compiled with -fPIC
# Python module dependencies
extends('python', when='+python')
depends_on('py-numpy', when='+python')
depends_on('py-scipy', when='+python')
depends_on('py-cython', when='+python')
depends_on('py-3to2', when='+python')
# TODO: these "when" specs don't actually work
#depends_on('py-unittest2', when='+python^python@2.6')
#depends_on('py-unittest2py3k', when='+python^python@3.1')
# Matlab toolbox dependencies
# TODO: add Matlab package
# TODO: allow packages to extend multiple other packages
#extends('matlab', when='+matlab')
def install(self, spec, prefix):
# Required options
options = [
'prefix={0}'.format(prefix),
'CC={0}'.format(os.environ['CC']),
'CXX={0}'.format(os.environ['CXX']),
'F77={0}'.format(os.environ['F77']),
'FORTRAN={0}'.format(os.environ['FC']),
'cc_flags=-fPIC',
# Allow Spack environment variables to propagate through to SCons
'env_vars=all'
]
# BLAS/LAPACK support
if '+lapack' in spec:
options.extend([
'blas_lapack_libs=lapack,blas',
'blas_lapack_dir={0}'.format(spec['lapack'].prefix.lib)
])
# Threadsafe build, requires Boost
if '+threadsafe' in spec:
options.extend([
'build_thread_safe=yes',
'boost_inc_dir={0}'.format(spec['boost'].prefix.include),
'boost_lib_dir={0}'.format(spec['boost'].prefix.lib),
'boost_thread_lib=boost_thread-mt'
])
else:
options.append('build_thread_safe=no')
# Sundials support
if '+sundials' in spec:
options.extend([
'use_sundials=y',
'sundials_include={0}'.format(spec['sundials'].prefix.include),
'sundials_libdir={0}'.format(spec['sundials'].prefix.lib),
'sundials_license={0}'.format(
join_path(spec['sundials'].prefix, 'LICENSE'))
])
else:
options.append('use_sundials=n')
# Python module
if '+python' in spec:
options.extend([
'python_package=full',
'python_cmd={0}'.format(
join_path(spec['python'].prefix.bin, 'python')),
'python_array_home={0}'.format(spec['py-numpy'].prefix)
])
if spec['python'].satisfies('@3'):
options.extend([
'python3_package=y',
'python3_cmd={0}'.format(
join_path(spec['python'].prefix.bin, 'python')),
'python3_array_home={0}'.format(spec['py-numpy'].prefix)
])
else:
options.append('python3_package=n')
else:
options.append('python_package=none')
options.append('python3_package=n')
# Matlab toolbox
if '+matlab' in spec:
options.extend([
'matlab_toolbox=y',
'matlab_path={0}'.format(spec['matlab'].prefix)
])
else:
options.append('matlab_toolbox=n')
scons('build', *options)
if '+python' in spec:
# Tests will always fail if Python dependencies aren't built
#scons('test') # TODO: 3 expected failures, not sure what's wrong
pass
scons('install')

View File

@@ -0,0 +1,40 @@
##############################################################################
# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
# Produced at the Lawrence Livermore National Laboratory.
#
# This file is part of Spack.
# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
# LLNL-CODE-647188
#
# For details, see https://github.com/llnl/spack
# Please also see the LICENSE file for our notice and the LGPL.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU Lesser General Public License (as
# published by the Free Software Foundation) version 2.1, February 1999.
#
# This program is distributed in the hope that it will be useful, but
# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
# conditions of the GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
class Py3to2(Package):
"""lib3to2 is a set of fixers that are intended to backport code written
for Python version 3.x into Python version 2.x."""
homepage = "https://pypi.python.org/pypi/3to2"
url = "https://pypi.python.org/packages/8f/ab/58a363eca982c40e9ee5a7ca439e8ffc5243dde2ae660ba1ffdd4868026b/3to2-1.1.1.zip"
version('1.1.1', 'cbeed28e350dbdaef86111ace3052824')
extends('python')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

View File

@@ -0,0 +1,41 @@
##############################################################################
# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
# Produced at the Lawrence Livermore National Laboratory.
#
# This file is part of Spack.
# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
# LLNL-CODE-647188
#
# For details, see https://github.com/llnl/spack
# Please also see the LICENSE file for our notice and the LGPL.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU Lesser General Public License (as
# published by the Free Software Foundation) version 2.1, February 1999.
#
# This program is distributed in the hope that it will be useful, but
# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
# conditions of the GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
class PyUnittest2(Package):
"""unittest2 is a backport of the new features added to the unittest
testing framework in Python 2.7 and onwards."""
homepage = "https://pypi.python.org/pypi/unittest2"
url = "https://pypi.python.org/packages/7f/c4/2b0e2d185d9d60772c10350d9853646832609d2f299a8300ab730f199db4/unittest2-1.1.0.tar.gz"
version('1.1.0', 'f72dae5d44f091df36b6b513305ea000')
extends('python')
depends_on('py-setuptools')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

View File

@@ -0,0 +1,42 @@
##############################################################################
# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
# Produced at the Lawrence Livermore National Laboratory.
#
# This file is part of Spack.
# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
# LLNL-CODE-647188
#
# For details, see https://github.com/llnl/spack
# Please also see the LICENSE file for our notice and the LGPL.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU Lesser General Public License (as
# published by the Free Software Foundation) version 2.1, February 1999.
#
# This program is distributed in the hope that it will be useful, but
# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
# conditions of the GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
class PyUnittest2py3k(Package):
"""unittest2 is a backport of the new features added to the unittest
testing framework in Python 2.7 and 3.2. This is a Python 3 compatible
version of unittest2."""
homepage = "https://pypi.python.org/pypi/unittest2py3k"
url = "https://pypi.python.org/packages/4e/3d/d44421e8d828af1399c1509c196db92e2a58f3764b01a0ee928d7025d1ca/unittest2py3k-0.5.1.tar.gz"
version('0.5.1', '8824ff92044310d9365f90d892bf0f09')
extends('python')
depends_on('py-setuptools')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

View File

@@ -41,8 +41,6 @@ class Serf(Package):
depends_on('zlib')
def install(self, spec, prefix):
scons = which("scons")
options = ['PREFIX=%s' % prefix]
options.append('APR=%s' % spec['apr'].prefix)
options.append('APU=%s' % spec['apr-util'].prefix)

View File

@@ -24,16 +24,107 @@
##############################################################################
from spack import *
class Sundials(Package):
"""SUNDIALS (SUite of Nonlinear and DIfferential/ALgebraic equation Solvers)"""
"""SUNDIALS (SUite of Nonlinear and DIfferential/ALgebraic equation
Solvers)"""
homepage = "http://computation.llnl.gov/casc/sundials/"
url = "http://computation.llnl.gov/casc/sundials/download/code/sundials-2.5.0.tar.gz"
url = "http://computation.llnl.gov/projects/sundials-suite-nonlinear-differential-algebraic-equation-solvers/download/sundials-2.6.2.tar.gz"
version('2.5.0', 'aba8b56eec600de3109cfb967aa3ba0f')
version('2.6.2', '3deeb0ede9f514184c6bd83ecab77d95')
depends_on("mpi")
variant('mpi', default=True, description='Enable MPI support')
variant('lapack', default=True, description='Build with external BLAS/LAPACK libraries')
variant('klu', default=True, description='Build with SuiteSparse KLU libraries')
variant('superlu', default=True, description='Build with SuperLU_MT libraries')
variant('openmp', default=False, description='Enable OpenMP support')
variant('pthread', default=True, description='Enable POSIX threads support')
depends_on('mpi', when='+mpi')
depends_on('blas', when='+lapack')
depends_on('lapack', when='+lapack')
depends_on('suite-sparse', when='+klu')
depends_on('superlu-mt+openmp', when='+superlu+openmp')
depends_on('superlu-mt+pthread', when='+superlu+pthread')
def install(self, spec, prefix):
configure("--prefix=%s" % prefix)
make()
make("install")
cmake_args = std_cmake_args
cmake_args.extend([
'-DBUILD_SHARED_LIBS=ON',
'-DCMAKE_C_FLAGS=-fPIC'
])
# MPI support
if '+mpi' in spec:
cmake_args.extend([
'-DMPI_ENABLE=ON',
'-DMPI_MPICC={0}'.format(spec['mpi'].mpicc),
'-DMPI_MPIF77={0}'.format(spec['mpi'].mpif77)
])
else:
cmake_args.append('-DMPI_ENABLE=OFF')
# Building with LAPACK and BLAS
if '+lapack' in spec:
cmake_args.extend([
'-DLAPACK_ENABLE=ON',
'-DLAPACK_LIBRARIES={0};{1}'.format(
spec['lapack'].lapack_shared_lib,
spec['blas'].blas_shared_lib
)
])
else:
cmake_args.append('-DLAPACK_ENABLE=OFF')
# Building with KLU
if '+klu' in spec:
cmake_args.extend([
'-DKLU_ENABLE=ON',
'-DKLU_INCLUDE_DIR={0}'.format(
spec['suite-sparse'].prefix.include),
'-DKLU_LIBRARY_DIR={0}'.format(
spec['suite-sparse'].prefix.lib)
])
else:
cmake_args.append('-DKLU_ENABLE=OFF')
# Building with SuperLU_MT
if '+superlu' in spec:
cmake_args.extend([
'-DSUPERLUMT_ENABLE=ON',
'-DSUPERLUMT_INCLUDE_DIR={0}'.format(
spec['superlu-mt'].prefix.include),
'-DSUPERLUMT_LIBRARY_DIR={0}'.format(
spec['superlu-mt'].prefix.lib)
])
if '+openmp' in spec:
cmake_args.append('-DSUPERLUMT_THREAD_TYPE=OpenMP')
elif '+pthread' in spec:
cmake_args.append('-DSUPERLUMT_THREAD_TYPE=Pthread')
else:
msg = 'You must choose either +openmp or +pthread when '
msg += 'building with SuperLU_MT'
raise RuntimeError(msg)
else:
cmake_args.append('-DSUPERLUMT_ENABLE=OFF')
# OpenMP support
if '+openmp' in spec:
cmake_args.append('-DOPENMP_ENABLE=ON')
else:
cmake_args.append('-DOPENMP_ENABLE=OFF')
# POSIX threads support
if '+pthread' in spec:
cmake_args.append('-DPTHREAD_ENABLE=ON')
else:
cmake_args.append('-DPTHREAD_ENABLE=OFF')
with working_dir('build', create=True):
cmake('..', *cmake_args)
make()
make('install')
install('LICENSE', prefix)

View File

@@ -0,0 +1,135 @@
##############################################################################
# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
# Produced at the Lawrence Livermore National Laboratory.
#
# This file is part of Spack.
# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
# LLNL-CODE-647188
#
# For details, see https://github.com/llnl/spack
# Please also see the LICENSE file for our notice and the LGPL.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU Lesser General Public License (as
# published by the Free Software Foundation) version 2.1, February 1999.
#
# This program is distributed in the hope that it will be useful, but
# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
# conditions of the GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
import spack
import glob
import os
class SuperluMt(Package):
"""SuperLU is a general purpose library for the direct solution of large,
sparse, nonsymmetric systems of linear equations on high performance
machines. SuperLU_MT is designed for shared memory parallel machines."""
homepage = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/#superlu_mt"
url = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/superlu_mt_3.1.tar.gz"
version('3.1', '06ac62f1b4b7d17123fffa0d0c315e91')
variant('blas', default=True, description='Build with external BLAS library')
# Must choose one or the other
variant('openmp', default=False, description='Build with OpenMP support')
variant('pthread', default=True, description='Build with POSIX threads support')
# NOTE: must link with a single-threaded BLAS library
depends_on('blas', when='+blas')
# Cannot be built in parallel
parallel = False
def configure(self, spec):
# Validate chosen variants
if '+openmp' in spec and '+pthread' in spec:
msg = 'You cannot choose both +openmp and +pthread'
raise RuntimeError(msg)
if '~openmp' in spec and '~pthread' in spec:
msg = 'You must choose either +openmp or +pthread'
raise RuntimeError(msg)
# List of configuration options
config = []
# The machine (platform) identifier to append to the library names
if '+openmp' in spec:
# OpenMP
config.extend([
'PLAT = _OPENMP',
'TMGLIB = libtmglib.a',
'MPLIB = {0}'.format(self.compiler.openmp_flag),
'CFLAGS = {0}'.format(self.compiler.openmp_flag),
'FFLAGS = {0}'.format(self.compiler.openmp_flag)
])
elif '+pthread' in spec:
# POSIX threads
config.extend([
'PLAT = _PTHREAD',
'TMGLIB = libtmglib$(PLAT).a',
'MPLIB = -lpthread'
])
# The BLAS library
# NOTE: must link with a single-threaded BLAS library
if '+blas' in spec:
config.extend([
'BLASDEF = -DUSE_VENDOR_BLAS',
'BLASLIB = -L{0} -lblas'.format(spec['blas'].prefix.lib)
])
else:
config.append('BLASLIB = ../lib/libblas$(PLAT).a')
# Generic options
config.extend([
# The name of the libraries to be created/linked to
'SUPERLULIB = libsuperlu_mt$(PLAT).a',
'MATHLIB = -lm',
# The archiver and the flag(s) to use when building archives
'ARCH = ar',
'ARCHFLAGS = cr',
'RANLIB = {0}'.format('ranlib' if which('ranlib') else 'echo'),
# Definitions used by CPP
'PREDEFS = -D_$(PLAT)',
# Compilers and flags
'CC = {0}'.format(os.environ['CC']),
'CFLAGS += $(PREDEFS) -D_LONGINT',
'NOOPTS = -O0',
'FORTRAN = {0}'.format(os.environ['FC']),
'LOADER = {0}'.format(os.environ['CC']),
# C preprocessor defs for compilation
'CDEFS = -DAdd_'
])
# Write configuration options to include file
with open('make.inc', 'w') as inc:
for option in config:
inc.write('{0}\n'.format(option))
def install(self, spec, prefix):
# Set up make include file manually
self.configure(spec)
# BLAS needs to be compiled separately if using internal BLAS library
if '+blas' not in spec:
make('blaslib')
make()
# Install manually
install_tree('lib', prefix.lib)
headers = glob.glob(join_path('SRC', '*.h'))
mkdir(prefix.include)
for h in headers:
install(h, prefix.include)