# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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"
git = "https://gitlab.com/petsc/petsc.git"
maintainers = ['balay', 'barrysmith', 'jedbrown']
version('develop', branch='master')
version('xsdk-0.2.0', tag='xsdk-0.2.0')
version('3.12.0', 'ba9ecf69783c7ebf05bd1c91dd1d4b38bf09b7a2d5f9a774aa6bb46deff7cb14')
version('3.11.4', '319cb5a875a692a67fe5b1b90009ba8f182e21921ae645d38106544aff20c3c1')
version('3.11.3', '199ad9650a9f58603b49e7fff7cd003ceb03aa231e5d37d0bf0496c6348eca81')
version('3.11.2', '4d244dd7d1565d6534e776445fcf6977a6ee2a8bb2be4a36ac1e0fc1f9ad9cfa')
version('3.11.1', 'cb627f99f7ce1540ebbbf338189f89a5f1ecf3ab3b5b0e357f9e46c209f1fb23')
version('3.11.0', 'b3bed2a9263193c84138052a1b92d47299c3490dd24d1d0bf79fb884e71e678a')
version('3.10.5', '3a81c8406410e0ffa8a3e9f8efcdf2e683cc40613c9bb5cb378a6498f595803e')
version('3.10.4', '6c836df84caa9ae683ae401d3f94eb9471353156fec6db602bf2e857e4ec339f')
version('3.10.3', 'cd106babbae091604fee40c258737c84dec048949be779eaef5a745df3dc8de4')
version('3.10.2', '63ed950653ae9b8d19daea47e24c0338')
version('3.10.1', '2d0d5a9bd8112a4147a2a23f7f62a906')
version('3.10.0', '0240c2ce8c54e47b3531a743ee844d41')
version('3.9.4', 'c98eb67573efb2f91c6f239368259e44')
version('3.9.3', '7b71d705f66f9961cb0e2da3f9da79a1')
version('3.9.2', '8bedc0cd8c8603d54bfd99a6e8f77b3d')
version('3.9.1', 'd3a229a188dbeef9b3f29b9a63622fad')
version('3.9.0', '34b8a81814ca050a96d58e53a2f0ac7a')
version('3.8.4', 'd7767fe2919536aa393eb22841899306')
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('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)
variant('fftw', default=False,
description='Activates support for FFTW (only parallel)')
variant('suite-sparse', default=False,
description='Activates support for SuiteSparse')
variant('knl', default=False,
description='Build for KNL')
variant('X', default=False,
description='Activate X support')
# 3.8.0 has a build issue with MKL - so list this conflict explicitly
conflicts('^intel-mkl', when='@3.8.0')
filter_compiler_wrappers(
'petscvariables', relative_root='lib/petsc/conf'
)
# 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:')
patch('pkg-config-3.7.6-3.8.4.diff', when='@3.7.6:3.8.4')
patch('xcode_stub_out_of_sync.patch', when='@:3.10.4')
patch('xlf_fix-dup-petscfecreate.patch', when='@3.11.0')
# Virtual dependencies
# Git repository needs sowing to build Fortran interface
depends_on('sowing', when='@develop')
depends_on('sowing@1.1.23-p1', when='@xsdk-0.2.0')
# 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', when='@:3.10.99')
depends_on('python@2.6:2.8,3.4:', type='build', when='@3.11:')
# Other dependencies
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+fortran', 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@:2.13.99~internal-superlu~int64', when='@:3.8.99+hypre+mpi~complex~int64')
depends_on('hypre@:2.13.99~internal-superlu+int64', when='@:3.8.99+hypre+mpi~complex+int64')
depends_on('hypre@2.14:~internal-superlu~int64', when='@3.9:+hypre+mpi~complex~int64')
depends_on('hypre@2.14:~internal-superlu+int64', when='@3.9+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('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='@3.8:3.9.99+superlu-dist+mpi~int64')
depends_on('superlu-dist@5.2:5.2.99+int64', when='@3.8:3.9.99+superlu-dist+mpi+int64')
depends_on('superlu-dist@5.4:5.4.99~int64', when='@3.10:3.10.2+superlu-dist+mpi~int64')
depends_on('superlu-dist@5.4:5.4.99+int64', when='@3.10:3.10.2+superlu-dist+mpi+int64')
depends_on('superlu-dist@6.1:6.1.99~int64', when='@3.10.3:3.12.99+superlu-dist+mpi~int64')
depends_on('superlu-dist@6.1:6.1.99+int64', when='@3.10.3:3.12.99+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')
depends_on('fftw+mpi', when='+fftw+mpi')
depends_on('suite-sparse', when='+suite-sparse')
depends_on('libx11', when='+X')
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,
]
if self.spec.satisfies('%intel'):
# mpiifort needs some help to automatically link
# all necessary run-time libraries
compiler_opts.append('--FC_LINKER_FLAGS=-lintlc')
return compiler_opts
def install(self, spec, prefix):
options = ['--with-ssl=0',
'--download-c2html=0',
'--download-sowing=0',
'--download-hwloc=0',
'CFLAGS=%s' % ' '.join(spec.compiler_flags['cflags']),
'FFLAGS=%s' % ' '.join(spec.compiler_flags['fflags']),
'CXXFLAGS=%s' % ' '.join(spec.compiler_flags['cxxflags'])]
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')
])
if '+debug' not in spec:
options.extend(['COPTFLAGS=',
'FOPTFLAGS=',
'CXXOPTFLAGS='])
# 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 '+knl' in spec:
options.append('--with-avx-512-kernels')
options.append('--with-memalign=64')
if '+X' in spec:
options.append('--with-x=1')
else:
options.append('--with-x=0')
if 'trilinos' in spec:
options.append('--with-cxx-dialect=C++11')
if spec.satisfies('^trilinos+boost'):
options.append('--with-boost=1')
if self.spec.satisfies('clanguage=C++'):
options.append('--with-clanguage=C++')
else:
options.append('--with-clanguage=C')
# PETSc depends on scalapack when '+mumps+mpi~int64' (see depends())
# help PETSc pick up Scalapack from MKL
if spec.satisfies('+mumps+mpi~int64'):
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', 'hdf5', 'hypre', 'parmetis',
'mumps', 'trilinos', 'fftw'):
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:
if spec.satisfies('@3.10.3:'):
options.append('--with-cxx-dialect=C++11')
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'
)
# SuiteSparse: configuring using '--with-suitesparse-dir=...' has some
# issues, so specify directly the include path and the libraries.
if '+suite-sparse' in spec:
ss_spec = 'suite-sparse:umfpack,klu,cholmod,btf,ccolamd,colamd,' \
'camd,amd,suitesparseconfig'
options.extend([
'--with-suitesparse-include=%s' % spec[ss_spec].prefix.include,
'--with-suitesparse-lib=%s' % spec[ss_spec].libs.joined(),
'--with-suitesparse=1'
])
else:
options.append('--with-suitesparse=0')
# zlib: configuring using '--with-zlib-dir=...' has some issues with
# SuiteSparse so specify directly the include path and the libraries.
if 'zlib' in spec:
options.extend([
'--with-zlib-include=%s' % spec['zlib'].prefix.include,
'--with-zlib-lib=%s' % spec['zlib'].libs.joined(),
'--with-zlib=1'
])
else:
options.append('--with-zlib=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'))
# For Spectrum MPI, if -np is omitted, the default behavior is
# to assign one process per process slot, where the default
# process slot allocation is one per core. On systems with
# many cores, the number of processes can exceed the size of
# the grid specified when the testcase is run and the test case
# fails. Specify a small number of processes to prevent
# failure.
# For more information about Spectrum MPI invocation, see URL
# https://www.ibm.com/support/knowledgecenter/en/SSZTET_10.1.0/smpi02/smpi02_mpirun_options.html
if ('spectrum-mpi' in spec):
run.add_default_arg('-np')
run.add_default_arg('4')
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')
@property
def headers(self):
return find_headers('petsc', self.prefix.include, recursive=False) \
or None # return None to indicate failure
# For the 'libs' property - use the default handler.