381 lines
18 KiB
Python
381 lines
18 KiB
Python
# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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import os
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import sys
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from spack import *
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class Petsc(Package):
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"""PETSc is a suite of data structures and routines for the scalable
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(parallel) solution of scientific applications modeled by partial
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differential equations.
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"""
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homepage = "http://www.mcs.anl.gov/petsc/index.html"
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url = "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-3.5.3.tar.gz"
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git = "https://bitbucket.org/petsc/petsc.git"
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maintainers = ['balay', 'barrysmith', 'jedbrown']
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version('develop', branch='master')
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version('xsdk-0.2.0', tag='xsdk-0.2.0')
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version('3.10.4', '6c836df84caa9ae683ae401d3f94eb9471353156fec6db602bf2e857e4ec339f')
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version('3.10.3', 'cd106babbae091604fee40c258737c84dec048949be779eaef5a745df3dc8de4')
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version('3.10.2', '63ed950653ae9b8d19daea47e24c0338')
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version('3.10.1', '2d0d5a9bd8112a4147a2a23f7f62a906')
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version('3.10.0', '0240c2ce8c54e47b3531a743ee844d41')
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version('3.9.4', 'c98eb67573efb2f91c6f239368259e44')
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version('3.9.3', '7b71d705f66f9961cb0e2da3f9da79a1')
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version('3.9.2', '8bedc0cd8c8603d54bfd99a6e8f77b3d')
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version('3.9.1', 'd3a229a188dbeef9b3f29b9a63622fad')
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version('3.9.0', '34b8a81814ca050a96d58e53a2f0ac7a')
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version('3.8.4', 'd7767fe2919536aa393eb22841899306')
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version('3.8.3', '322cbcf2a0f7b7bad562643b05d66f11')
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version('3.8.2', '00666e1c4cbfa8dd6eebf91ff8180f79')
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version('3.8.1', '3ed75c1147800fc156fe1f1e515a68a7')
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version('3.8.0', '02680f1f78a0d4c5a9de80a366793eb8')
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version('3.7.7', 'c2cfb76677d32839810c4cf51a2f9cf5')
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version('3.7.6', '977aa84b85aa3146c695592cd0a11057')
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version('3.7.5', 'f00f6e6a3bac39052350dd47194b58a3')
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version('3.7.4', 'aaf94fa54ef83022c14091f10866eedf')
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version('3.7.2', '50da49867ce7a49e7a0c1b37f4ec7b34')
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version('3.6.4', '7632da2375a3df35b8891c9526dbdde7')
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version('3.6.3', '91dd3522de5a5ef039ff8f50800db606')
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version('3.5.3', 'd4fd2734661e89f18ac6014b5dd1ef2f')
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version('3.5.2', 'ad170802b3b058b5deb9cd1f968e7e13')
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version('3.5.1', 'a557e029711ebf425544e117ffa44d8f')
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version('3.4.4', '7edbc68aa6d8d6a3295dd5f6c2f6979d')
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variant('shared', default=True,
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description='Enables the build of shared libraries')
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variant('mpi', default=True, description='Activates MPI support')
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variant('double', default=True,
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description='Switches between single and double precision')
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variant('complex', default=False, description='Build with complex numbers')
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variant('debug', default=False, description='Compile in debug mode')
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variant('metis', default=True,
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description='Activates support for metis and parmetis')
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variant('hdf5', default=True,
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description='Activates support for HDF5 (only parallel)')
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variant('hypre', default=True,
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description='Activates support for Hypre (only parallel)')
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# Mumps is disabled by default, because it depends on Scalapack
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# which is not portable to all HPC systems
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variant('mumps', default=False,
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description='Activates support for MUMPS (only parallel'
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' and 32bit indices)')
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variant('superlu-dist', default=True,
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description='Activates support for SuperluDist (only parallel)')
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variant('trilinos', default=False,
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description='Activates support for Trilinos (only parallel)')
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variant('int64', default=False,
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description='Compile with 64bit indices')
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variant('clanguage', default='C', values=('C', 'C++'),
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description='Specify C (recommended) or C++ to compile PETSc',
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multi=False)
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variant('suite-sparse', default=False,
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description='Activates support for SuiteSparse')
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variant('knl', default=False,
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description='Build for KNL')
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variant('X', default=False,
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description='Activate X support')
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# 3.8.0 has a build issue with MKL - so list this conflict explicitly
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conflicts('^intel-mkl', when='@3.8.0')
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filter_compiler_wrappers(
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'petscvariables', relative_root='lib/petsc/conf'
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)
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# temporary workaround Clang 8.1.0 with XCode 8.3 on macOS, see
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# https://bitbucket.org/petsc/petsc/commits/4f290403fdd060d09d5cb07345cbfd52670e3cbc
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# the patch is an adaptation of the original commit to 3.7.5
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if sys.platform == "darwin":
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patch('macos-clang-8.1.0.diff',
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when='@3.7.5%clang@8.1.0:')
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patch('pkg-config-3.7.6-3.8.4.diff', when='@3.7.6:3.8.4')
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# Virtual dependencies
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# Git repository needs sowing to build Fortran interface
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depends_on('sowing', when='@develop')
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depends_on('sowing@1.1.23-p1', when='@xsdk-0.2.0')
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# PETSc, hypre, superlu_dist when built with int64 use 32 bit integers
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# with BLAS/LAPACK
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depends_on('blas')
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depends_on('lapack')
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depends_on('mpi', when='+mpi')
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# Build dependencies
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depends_on('python@2.6:2.8', type='build', when='@:3.10.99')
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depends_on('python@2.6:2.8,3.4:', type='build', when='@3.11:')
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# Other dependencies
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depends_on('metis@5:~int64+real64', when='@:3.7.99+metis~int64+double')
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depends_on('metis@5:~int64', when='@:3.7.99+metis~int64~double')
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depends_on('metis@5:+int64+real64', when='@:3.7.99+metis+int64+double')
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depends_on('metis@5:+int64', when='@:3.7.99+metis+int64~double')
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# petsc-3.8+ uses default (float) metis with any (petsc) precision
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depends_on('metis@5:~int64', when='@3.8:+metis~int64')
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depends_on('metis@5:+int64', when='@3.8:+metis+int64')
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depends_on('hdf5+mpi+hl+fortran', when='+hdf5+mpi')
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depends_on('zlib', when='+hdf5')
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depends_on('parmetis', when='+metis+mpi')
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# Hypre does not support complex numbers.
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# Also PETSc prefer to build it without internal superlu, likely due to
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# conflict in headers see
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# https://bitbucket.org/petsc/petsc/src/90564b43f6b05485163c147b464b5d6d28cde3ef/config/BuildSystem/config/packages/hypre.py
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depends_on('hypre@:2.13.99~internal-superlu~int64', when='@:3.8.99+hypre+mpi~complex~int64')
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depends_on('hypre@:2.13.99~internal-superlu+int64', when='@:3.8.99+hypre+mpi~complex+int64')
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depends_on('hypre@2.14:~internal-superlu~int64', when='@3.9:+hypre+mpi~complex~int64')
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depends_on('hypre@2.14:~internal-superlu+int64', when='@3.9+hypre+mpi~complex+int64')
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depends_on('hypre@xsdk-0.2.0~internal-superlu+int64', when='@xsdk-0.2.0+hypre+mpi~complex+int64')
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depends_on('hypre@xsdk-0.2.0~internal-superlu~int64', when='@xsdk-0.2.0+hypre+mpi~complex~int64')
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depends_on('hypre@develop~internal-superlu+int64', when='@develop+hypre+mpi~complex+int64')
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depends_on('hypre@develop~internal-superlu~int64', when='@develop+hypre+mpi~complex~int64')
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depends_on('superlu-dist@:4.3~int64', when='@3.4.4:3.6.4+superlu-dist+mpi~int64')
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depends_on('superlu-dist@:4.3+int64', when='@3.4.4:3.6.4+superlu-dist+mpi+int64')
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depends_on('superlu-dist@5.0.0:~int64', when='@3.7:3.7.99+superlu-dist+mpi~int64')
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depends_on('superlu-dist@5.0.0:+int64', when='@3.7:3.7.99+superlu-dist+mpi+int64')
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depends_on('superlu-dist@5.2:5.2.99~int64', when='@3.8:3.9.99+superlu-dist+mpi~int64')
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depends_on('superlu-dist@5.2:5.2.99+int64', when='@3.8:3.9.99+superlu-dist+mpi+int64')
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depends_on('superlu-dist@5.4:5.4.99~int64', when='@3.10:3.10.2+superlu-dist+mpi~int64')
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depends_on('superlu-dist@5.4:5.4.99+int64', when='@3.10:3.10.2+superlu-dist+mpi+int64')
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depends_on('superlu-dist@6.1:6.1.99~int64', when='@3.10.3:3.10.99+superlu-dist+mpi~int64')
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depends_on('superlu-dist@6.1:6.1.99+int64', when='@3.10.3:3.10.99+superlu-dist+mpi+int64')
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depends_on('superlu-dist@xsdk-0.2.0~int64', when='@xsdk-0.2.0+superlu-dist+mpi~int64')
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depends_on('superlu-dist@xsdk-0.2.0+int64', when='@xsdk-0.2.0+superlu-dist+mpi+int64')
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depends_on('superlu-dist@develop~int64', when='@develop+superlu-dist+mpi~int64')
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depends_on('superlu-dist@develop+int64', when='@develop+superlu-dist+mpi+int64')
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depends_on('mumps+mpi', when='+mumps+mpi~int64')
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depends_on('scalapack', when='+mumps+mpi~int64')
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depends_on('trilinos@12.6.2:', when='@3.7.0:+trilinos+mpi')
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depends_on('trilinos@xsdk-0.2.0', when='@xsdk-0.2.0+trilinos+mpi')
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depends_on('trilinos@develop', when='@xdevelop+trilinos+mpi')
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depends_on('suite-sparse', when='+suite-sparse')
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depends_on('libx11', when='+X')
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def mpi_dependent_options(self):
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if '~mpi' in self.spec:
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compiler_opts = [
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'--with-cc=%s' % os.environ['CC'],
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'--with-cxx=%s' % (os.environ['CXX']
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if self.compiler.cxx is not None else '0'),
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'--with-fc=%s' % (os.environ['FC']
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if self.compiler.fc is not None else '0'),
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'--with-mpi=0'
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]
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error_message_fmt = \
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'\t{library} support requires "+mpi" to be activated'
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# If mpi is disabled (~mpi), it's an error to have any of these
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# enabled. This generates a list of any such errors.
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errors = [
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error_message_fmt.format(library=x)
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for x in ('hdf5', 'hypre', 'parmetis', 'mumps', 'superlu-dist')
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if ('+' + x) in self.spec]
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if errors:
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errors = ['incompatible variants given'] + errors
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raise RuntimeError('\n'.join(errors))
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else:
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compiler_opts = [
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'--with-cc=%s' % self.spec['mpi'].mpicc,
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'--with-cxx=%s' % self.spec['mpi'].mpicxx,
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'--with-fc=%s' % self.spec['mpi'].mpifc,
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]
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if self.spec.satisfies('%intel'):
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# mpiifort needs some help to automatically link
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# all necessary run-time libraries
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compiler_opts.append('--FC_LINKER_FLAGS=-lintlc')
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return compiler_opts
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def install(self, spec, prefix):
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options = ['--with-ssl=0',
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'--download-c2html=0',
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'--download-sowing=0',
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'--download-hwloc=0',
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'CFLAGS=%s' % ' '.join(spec.compiler_flags['cflags']),
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'FFLAGS=%s' % ' '.join(spec.compiler_flags['fflags']),
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'CXXFLAGS=%s' % ' '.join(spec.compiler_flags['cxxflags'])]
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options.extend(self.mpi_dependent_options())
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options.extend([
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'--with-precision=%s' % (
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'double' if '+double' in spec else 'single'),
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'--with-scalar-type=%s' % (
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'complex' if '+complex' in spec else 'real'),
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'--with-shared-libraries=%s' % ('1' if '+shared' in spec else '0'),
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'--with-debugging=%s' % ('1' if '+debug' in spec else '0'),
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'--with-64-bit-indices=%s' % ('1' if '+int64' in spec else '0')
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])
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if '+debug' not in spec:
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options.extend(['COPTFLAGS=',
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'FOPTFLAGS=',
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'CXXOPTFLAGS='])
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# Make sure we use exactly the same Blas/Lapack libraries
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# across the DAG. To that end list them explicitly
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lapack_blas = spec['lapack'].libs + spec['blas'].libs
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options.extend([
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'--with-blas-lapack-lib=%s' % lapack_blas.joined()
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])
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if '+knl' in spec:
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options.append('--with-avx-512-kernels')
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options.append('--with-memalign=64')
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if '+X' in spec:
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options.append('--with-x=1')
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else:
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options.append('--with-x=0')
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if 'trilinos' in spec:
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options.append('--with-cxx-dialect=C++11')
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if spec.satisfies('^trilinos+boost'):
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options.append('--with-boost=1')
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if self.spec.satisfies('clanguage=C++'):
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options.append('--with-clanguage=C++')
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else:
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options.append('--with-clanguage=C')
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# PETSc depends on scalapack when '+mumps+mpi~int64' (see depends())
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# help PETSc pick up Scalapack from MKL
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if spec.satisfies('+mumps+mpi~int64'):
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scalapack = spec['scalapack'].libs
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options.extend([
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'--with-scalapack-lib=%s' % scalapack.joined(),
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'--with-scalapack=1'
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])
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else:
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options.extend([
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'--with-scalapack=0'
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])
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# Activates library support if needed
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for library in ('metis', 'hdf5', 'hypre', 'parmetis',
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'mumps', 'trilinos'):
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options.append(
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'--with-{library}={value}'.format(
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library=library, value=('1' if library in spec else '0'))
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)
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if library in spec:
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options.append(
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'--with-{library}-dir={path}'.format(
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library=library, path=spec[library].prefix)
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)
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# PETSc does not pick up SuperluDist from the dir as they look for
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# superlu_dist_4.1.a
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if 'superlu-dist' in spec:
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if spec.satisfies('@3.10.3:'):
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options.append('--with-cxx-dialect=C++11')
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options.extend([
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'--with-superlu_dist-include=%s' %
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spec['superlu-dist'].prefix.include,
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'--with-superlu_dist-lib=%s' %
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join_path(spec['superlu-dist'].prefix.lib,
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'libsuperlu_dist.a'),
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'--with-superlu_dist=1'
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])
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else:
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options.append(
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'--with-superlu_dist=0'
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)
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# SuiteSparse: configuring using '--with-suitesparse-dir=...' has some
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# issues, so specify directly the include path and the libraries.
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if '+suite-sparse' in spec:
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ss_spec = 'suite-sparse:umfpack,klu,cholmod,btf,ccolamd,colamd,' \
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'camd,amd,suitesparseconfig'
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options.extend([
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'--with-suitesparse-include=%s' % spec[ss_spec].prefix.include,
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'--with-suitesparse-lib=%s' % spec[ss_spec].libs.ld_flags,
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'--with-suitesparse=1'
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])
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else:
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options.append('--with-suitesparse=0')
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# zlib: configuring using '--with-zlib-dir=...' has some issues with
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# SuiteSparse so specify directly the include path and the libraries.
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if 'zlib' in spec:
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options.extend([
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'--with-zlib-include=%s' % spec['zlib'].prefix.include,
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'--with-zlib-lib=%s' % spec['zlib'].libs.ld_flags,
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'--with-zlib=1'
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])
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else:
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options.append('--with-zlib=0')
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python('configure', '--prefix=%s' % prefix, *options)
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# PETSc has its own way of doing parallel make.
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make('MAKE_NP=%s' % make_jobs, parallel=False)
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make("install")
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# solve Poisson equation in 2D to make sure nothing is broken:
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if ('mpi' in spec) and self.run_tests:
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with working_dir('src/ksp/ksp/examples/tutorials'):
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env['PETSC_DIR'] = self.prefix
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cc = Executable(spec['mpi'].mpicc)
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cc('ex50.c', '-I%s' % prefix.include, '-L%s' % prefix.lib,
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'-lpetsc', '-lm', '-o', 'ex50')
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run = Executable(join_path(spec['mpi'].prefix.bin, 'mpirun'))
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# For Spectrum MPI, if -np is omitted, the default behavior is
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# to assign one process per process slot, where the default
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# process slot allocation is one per core. On systems with
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# many cores, the number of processes can exceed the size of
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# the grid specified when the testcase is run and the test case
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# fails. Specify a small number of processes to prevent
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# failure.
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# For more information about Spectrum MPI invocation, see URL
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# https://www.ibm.com/support/knowledgecenter/en/SSZTET_10.1.0/smpi02/smpi02_mpirun_options.html
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if ('spectrum-mpi' in spec):
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run.add_default_arg('-np')
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run.add_default_arg('4')
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run('ex50', '-da_grid_x', '4', '-da_grid_y', '4')
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if 'superlu-dist' in spec:
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run('ex50',
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'-da_grid_x', '4',
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'-da_grid_y', '4',
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'-pc_type', 'lu',
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'-pc_factor_mat_solver_package', 'superlu_dist')
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if 'mumps' in spec:
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run('ex50',
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'-da_grid_x', '4',
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'-da_grid_y', '4',
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'-pc_type', 'lu',
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'-pc_factor_mat_solver_package', 'mumps')
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if 'hypre' in spec:
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run('ex50',
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'-da_grid_x', '4',
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'-da_grid_y', '4',
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'-pc_type', 'hypre',
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'-pc_hypre_type', 'boomeramg')
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def setup_environment(self, spack_env, run_env):
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# configure fails if these env vars are set outside of Spack
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|
spack_env.unset('PETSC_DIR')
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|
spack_env.unset('PETSC_ARCH')
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|
|
|
# Set PETSC_DIR in the module file
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|
run_env.set('PETSC_DIR', self.prefix)
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|
run_env.unset('PETSC_ARCH')
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|
|
|
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)
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|
spack_env.unset('PETSC_ARCH')
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|
|
|
@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.
|