############################################################################## # 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" git = "https://bitbucket.org/petsc/petsc.git" maintainers = ['balay', 'barrysmith', 'jedbrown'] version('develop', branch='master') version('xsdk-0.2.0', tag='xsdk-0.2.0') 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('suite-sparse', default=False, description='Activates support for SuiteSparse') # 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:') patch('pkg-config-3.7.6-3.8.4.diff', when='@3.7.6:3.8.4') # 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('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@: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='@3.10:3.10.99+superlu-dist+mpi~int64') depends_on('superlu-dist@5.4:5.4.99+int64', when='@3.10:3.10.99+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('suite-sparse', when='+suite-sparse') 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', '--with-x=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']), 'COPTFLAGS=', 'FOPTFLAGS=', 'CXXOPTFLAGS='] 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 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'): 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' ) # 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.ld_flags, '--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.ld_flags, '--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.