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##############################################################################
# Copyright (c) 2013-2018, 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/spack/spack
# Please also see the NOTICE and LICENSE files 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
##############################################################################
import os
import sys
from spack import *
class Petsc(Package):
"""PETSc is a suite of data structures and routines for the scalable
(parallel) solution of scientific applications modeled by partial
differential equations.
"""
homepage = "http://www.mcs.anl.gov/petsc/index.html"
url = "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-3.5.3.tar.gz"
maintainers = ['balay', 'barrysmith']
version('develop', git='https://bitbucket.org/petsc/petsc.git', tag='master')
version('xsdk-0.2.0', git='https://bitbucket.org/petsc/petsc.git', tag='xsdk-0.2.0')
version('3.8.3', '322cbcf2a0f7b7bad562643b05d66f11')
version('3.8.2', '00666e1c4cbfa8dd6eebf91ff8180f79')
version('3.8.1', '3ed75c1147800fc156fe1f1e515a68a7')
version('3.8.0', '02680f1f78a0d4c5a9de80a366793eb8')
version('3.7.7', 'c2cfb76677d32839810c4cf51a2f9cf5')
version('3.7.6', '977aa84b85aa3146c695592cd0a11057')
version('3.7.5', 'f00f6e6a3bac39052350dd47194b58a3')
version('3.7.4', 'aaf94fa54ef83022c14091f10866eedf')
version('3.7.2', '50da49867ce7a49e7a0c1b37f4ec7b34')
version('3.6.4', '7632da2375a3df35b8891c9526dbdde7')
version('3.6.3', '91dd3522de5a5ef039ff8f50800db606')
version('3.5.3', 'd4fd2734661e89f18ac6014b5dd1ef2f')
version('3.5.2', 'ad170802b3b058b5deb9cd1f968e7e13')
version('3.5.1', 'a557e029711ebf425544e117ffa44d8f')
version('3.4.4', '7edbc68aa6d8d6a3295dd5f6c2f6979d')
variant('shared', default=True,
description='Enables the build of shared libraries')
variant('mpi', default=True, description='Activates MPI support')
variant('double', default=True,
description='Switches between single and double precision')
variant('complex', default=False, description='Build with complex numbers')
variant('debug', default=False, description='Compile in debug mode')
variant('metis', default=True,
description='Activates support for metis and parmetis')
variant('hdf5', default=True,
description='Activates support for HDF5 (only parallel)')
variant('boost', default=True, description='Activates support for Boost')
variant('hypre', default=True,
description='Activates support for Hypre (only parallel)')
# Mumps is disabled by default, because it depends on Scalapack
# which is not portable to all HPC systems
variant('mumps', default=False,
description='Activates support for MUMPS (only parallel'
' and 32bit indices)')
variant('superlu-dist', default=True,
description='Activates support for SuperluDist (only parallel)')
variant('trilinos', default=False,
description='Activates support for Trilinos (only parallel)')
variant('int64', default=False,
description='Compile with 64bit indices')
variant('clanguage', default='C', values=('C', 'C++'),
description='Specify C (recommended) or C++ to compile PETSc',
multi=False)
# 3.8.0 has a build issue with MKL - so list this conflict explicitly
conflicts('^intel-mkl', when='@3.8.0')
# temporary workaround Clang 8.1.0 with XCode 8.3 on macOS, see
# https://bitbucket.org/petsc/petsc/commits/4f290403fdd060d09d5cb07345cbfd52670e3cbc
# the patch is an adaptation of the original commit to 3.7.5
if sys.platform == "darwin":
patch('macos-clang-8.1.0.diff',
when='@3.7.5%clang@8.1.0:')
# Virtual dependencies
# Git repository needs sowing to build Fortran interface
depends_on('sowing', when='@develop')
# PETSc, hypre, superlu_dist when built with int64 use 32 bit integers
# with BLAS/LAPACK
depends_on('blas')
depends_on('lapack')
depends_on('mpi', when='+mpi')
# Build dependencies
depends_on('python@2.6:2.8', type='build')
# Other dependencies
depends_on('boost', when='@:3.5+boost')
depends_on('metis@5:~int64+real64', when='@:3.7.99+metis~int64+double')
depends_on('metis@5:~int64', when='@:3.7.99+metis~int64~double')
depends_on('metis@5:+int64+real64', when='@:3.7.99+metis+int64+double')
depends_on('metis@5:+int64', when='@:3.7.99+metis+int64~double')
# petsc-3.8+ uses default (float) metis with any (petsc) precision
depends_on('metis@5:~int64', when='@3.8:+metis~int64')
depends_on('metis@5:+int64', when='@3.8:+metis+int64')
depends_on('hdf5+mpi+hl', when='+hdf5+mpi')
depends_on('zlib', when='+hdf5')
depends_on('parmetis', when='+metis+mpi')
# Hypre does not support complex numbers.
# Also PETSc prefer to build it without internal superlu, likely due to
# conflict in headers see
# https://bitbucket.org/petsc/petsc/src/90564b43f6b05485163c147b464b5d6d28cde3ef/config/BuildSystem/config/packages/hypre.py
depends_on('hypre~internal-superlu~int64', when='+hypre+mpi~complex~int64')
depends_on('hypre@xsdk-0.2.0~internal-superlu+int64', when='@xsdk-0.2.0+hypre+mpi~complex+int64')
depends_on('hypre@xsdk-0.2.0~internal-superlu~int64', when='@xsdk-0.2.0+hypre+mpi~complex~int64')
depends_on('hypre@develop~internal-superlu+int64', when='@develop+hypre+mpi~complex+int64')
depends_on('hypre@develop~internal-superlu~int64', when='@develop+hypre+mpi~complex~int64')
depends_on('hypre~internal-superlu+int64', when='+hypre+mpi~complex+int64')
depends_on('superlu-dist@:4.3~int64', when='@3.4.4:3.6.4+superlu-dist+mpi~int64')
depends_on('superlu-dist@:4.3+int64', when='@3.4.4:3.6.4+superlu-dist+mpi+int64')
depends_on('superlu-dist@5.0.0:~int64', when='@3.7:3.7.99+superlu-dist+mpi~int64')
depends_on('superlu-dist@5.0.0:+int64', when='@3.7:3.7.99+superlu-dist+mpi+int64')
depends_on('superlu-dist@5.2:5.2.99~int64', when='@3.8:3.8.99+superlu-dist+mpi~int64')
depends_on('superlu-dist@5.2:5.2.99+int64', when='@3.8:3.8.99+superlu-dist+mpi+int64')
depends_on('superlu-dist@xsdk-0.2.0~int64', when='@xsdk-0.2.0+superlu-dist+mpi~int64')
depends_on('superlu-dist@xsdk-0.2.0+int64', when='@xsdk-0.2.0+superlu-dist+mpi+int64')
depends_on('superlu-dist@develop~int64', when='@develop+superlu-dist+mpi~int64')
depends_on('superlu-dist@develop+int64', when='@develop+superlu-dist+mpi+int64')
depends_on('mumps+mpi', when='+mumps+mpi~int64')
depends_on('scalapack', when='+mumps+mpi~int64')
depends_on('trilinos@12.6.2:', when='@3.7.0:+trilinos+mpi')
depends_on('trilinos@xsdk-0.2.0', when='@xsdk-0.2.0+trilinos+mpi')
depends_on('trilinos@develop', when='@xdevelop+trilinos+mpi')
def mpi_dependent_options(self):
if '~mpi' in self.spec:
compiler_opts = [
'--with-cc=%s' % os.environ['CC'],
'--with-cxx=%s' % (os.environ['CXX']
if self.compiler.cxx is not None else '0'),
'--with-fc=%s' % (os.environ['FC']
if self.compiler.fc is not None else '0'),
'--with-mpi=0'
]
error_message_fmt = \
'\t{library} support requires "+mpi" to be activated'
# If mpi is disabled (~mpi), it's an error to have any of these
# enabled. This generates a list of any such errors.
errors = [
error_message_fmt.format(library=x)
for x in ('hdf5', 'hypre', 'parmetis', 'mumps', 'superlu-dist')
if ('+' + x) in self.spec]
if errors:
errors = ['incompatible variants given'] + errors
raise RuntimeError('\n'.join(errors))
else:
compiler_opts = [
'--with-cc=%s' % self.spec['mpi'].mpicc,
'--with-cxx=%s' % self.spec['mpi'].mpicxx,
'--with-fc=%s' % self.spec['mpi'].mpifc
]
return compiler_opts
def install(self, spec, prefix):
options = ['--with-ssl=0',
'--with-x=0',
'--download-c2html=0',
'--download-sowing=0',
'--download-hwloc=0']
options.extend(self.mpi_dependent_options())
options.extend([
'--with-precision=%s' % (
'double' if '+double' in spec else 'single'),
'--with-scalar-type=%s' % (
'complex' if '+complex' in spec else 'real'),
'--with-shared-libraries=%s' % ('1' if '+shared' in spec else '0'),
'--with-debugging=%s' % ('1' if '+debug' in spec else '0'),
'--with-64-bit-indices=%s' % ('1' if '+int64' in spec else '0')
])
# Make sure we use exactly the same Blas/Lapack libraries
# across the DAG. To that end list them explicitly
lapack_blas = spec['lapack'].libs + spec['blas'].libs
options.extend([
'--with-blas-lapack-lib=%s' % lapack_blas.joined()
])
if 'trilinos' in spec:
options.append('--with-cxx-dialect=C++11')
if self.spec.satisfies('clanguage=C++'):
options.append('--with-clanguage=C++')
else:
options.append('--with-clanguage=C')
# Help PETSc pick up Scalapack from MKL:
if 'scalapack' in spec:
scalapack = spec['scalapack'].libs
options.extend([
'--with-scalapack-lib=%s' % scalapack.joined(),
'--with-scalapack=1'
])
else:
options.extend([
'--with-scalapack=0'
])
# Activates library support if needed
for library in ('metis', 'boost', 'hdf5', 'hypre', 'parmetis',
'mumps', 'trilinos', 'zlib'):
options.append(
'--with-{library}={value}'.format(
library=library, value=('1' if library in spec else '0'))
)
if library in spec:
options.append(
'--with-{library}-dir={path}'.format(
library=library, path=spec[library].prefix)
)
# PETSc does not pick up SuperluDist from the dir as they look for
# superlu_dist_4.1.a
if 'superlu-dist' in spec:
options.extend([
'--with-superlu_dist-include=%s' %
spec['superlu-dist'].prefix.include,
'--with-superlu_dist-lib=%s' %
join_path(spec['superlu-dist'].prefix.lib,
'libsuperlu_dist.a'),
'--with-superlu_dist=1'
])
else:
options.append(
'--with-superlu_dist=0'
)
python('configure', '--prefix=%s' % prefix, *options)
# PETSc has its own way of doing parallel make.
make('MAKE_NP=%s' % make_jobs, parallel=False)
make("install")
# solve Poisson equation in 2D to make sure nothing is broken:
if ('mpi' in spec) and self.run_tests:
with working_dir('src/ksp/ksp/examples/tutorials'):
env['PETSC_DIR'] = self.prefix
cc = Executable(spec['mpi'].mpicc)
cc('ex50.c', '-I%s' % prefix.include, '-L%s' % prefix.lib,
'-lpetsc', '-lm', '-o', 'ex50')
run = Executable(join_path(spec['mpi'].prefix.bin, 'mpirun'))
run('ex50', '-da_grid_x', '4', '-da_grid_y', '4')
if 'superlu-dist' in spec:
run('ex50',
'-da_grid_x', '4',
'-da_grid_y', '4',
'-pc_type', 'lu',
'-pc_factor_mat_solver_package', 'superlu_dist')
if 'mumps' in spec:
run('ex50',
'-da_grid_x', '4',
'-da_grid_y', '4',
'-pc_type', 'lu',
'-pc_factor_mat_solver_package', 'mumps')
if 'hypre' in spec:
run('ex50',
'-da_grid_x', '4',
'-da_grid_y', '4',
'-pc_type', 'hypre',
'-pc_hypre_type', 'boomeramg')
def setup_environment(self, spack_env, run_env):
# configure fails if these env vars are set outside of Spack
spack_env.unset('PETSC_DIR')
spack_env.unset('PETSC_ARCH')
# Set PETSC_DIR in the module file
run_env.set('PETSC_DIR', self.prefix)
run_env.unset('PETSC_ARCH')
def setup_dependent_environment(self, spack_env, run_env, dependent_spec):
# Set up PETSC_DIR for everyone using PETSc package
spack_env.set('PETSC_DIR', self.prefix)
spack_env.unset('PETSC_ARCH')
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