608 lines
23 KiB
Python
608 lines
23 KiB
Python
# Copyright 2013-2020 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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from spack import *
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import os
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import sys
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class Sundials(CMakePackage):
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"""SUNDIALS (SUite of Nonlinear and DIfferential/ALgebraic equation
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Solvers)"""
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homepage = "https://computing.llnl.gov/projects/sundials"
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urls = ["https://computing.llnl.gov/projects/sundials/download/sundials-2.7.0.tar.gz",
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"https://github.com/LLNL/sundials/releases/download/v2.7.0/sundials-2.7.0.tar.gz"]
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git = "https://github.com/llnl/sundials.git"
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maintainers = ['cswoodward', 'gardner48', 'balos1']
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# ==========================================================================
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# Versions
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# ==========================================================================
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version('develop', branch='develop')
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version('5.6.1', sha256='16b77999ec7e7f2157aa1d04ca1de4a2371ca8150e056d24951d0c58966f2a83')
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version('5.6.0', sha256='95e4201912e150f29c6f6f7625de763385e2073dae7f929c4a544561ea29915d')
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version('5.5.0', sha256='2a755e89aab96d2ff096a4e30bf00bb162e80be20e9e99f424dccfb249098237')
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version('5.4.0', sha256='04d8a2ebe02cdaeef5a9e22ff7e3146bb563d8400f65772b6c7af80001413ffa')
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version('5.3.0', sha256='88dff7e11a366853d8afd5de05bf197a8129a804d9d4461fb64297f1ef89bca7')
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version('5.2.0', sha256='95f058acce5bd66e654de65acdbb1c9f44c90cf1b4e28f8d933cdb4415ebba3e')
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version('5.1.0', sha256='fb22d14fad42203809dc46d046b001149ec4e901b23882bd4a80619157fd9b21')
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version('5.0.0', sha256='345141ec01c641d0bdfb3476c478b7e74fd6a7192a478a27cafe75d9da2d7dd3')
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version('4.1.0', sha256='280de1c27b2360170a6f46cb3799b2aee9dff3bddbafc8b08c291a47ab258aa5')
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version('4.0.1', sha256='29e409c8620e803990edbda1ebf49e03a38c08b9187b90658d86bddae913aed4')
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version('3.2.1', sha256='47d94d977ab2382cdcdd02f72a25ebd4ba8ca2634bbb2f191fe1636e71c86808')
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version('3.2.0', sha256='d2b690afecadf8b5a048bb27ab341de591d714605b98d3518985dfc2250e93f9')
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version('3.1.2', sha256='a8985bb1e851d90e24260450667b134bc13d71f5c6effc9e1d7183bd874fe116')
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version('3.1.1', sha256='a24d643d31ed1f31a25b102a1e1759508ce84b1e4739425ad0e18106ab471a24')
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version('3.1.0', sha256='18d52f8f329626f77b99b8bf91e05b7d16b49fde2483d3a0ea55496ce4cdd43a')
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version('3.0.0', sha256='28b8e07eecfdef66e2c0d0ea0cb1b91af6e4e94d71008abfe80c27bf39f63fde')
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version('2.7.0', sha256='d39fcac7175d701398e4eb209f7e92a5b30a78358d4a0c0fcc23db23c11ba104')
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version('2.6.2', sha256='d8ed0151509dd2b0f317b318a4175f8b95a174340fc3080b8c20617da8aa4d2f')
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# ==========================================================================
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# Variants
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# ==========================================================================
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# SUNDIALS solvers
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sun_solvers = ['CVODE', 'CVODES', 'ARKODE', 'IDA', 'IDAS', 'KINSOL']
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for pkg in sun_solvers:
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variant(pkg, default=True,
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description='Enable %s solver' % pkg)
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# Real type
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variant(
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'precision',
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default='double',
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description='real type precision',
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values=('single', 'double', 'extended'),
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multi=False
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)
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# Index type
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variant('int64', default=False,
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description='Use 64bit integers for indices')
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# Parallelism
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variant('mpi', default=True,
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description='Enable MPI parallel vector')
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variant('openmp', default=False,
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description='Enable OpenMP parallel vector')
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variant('pthread', default=False,
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description='Enable Pthreads parallel vector')
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variant('cuda', default=False,
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description='Enable CUDA vector and solvers')
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variant('raja', default=False,
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description='Enable RAJA vector')
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# External libraries
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variant('hypre', default=False,
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description='Enable Hypre MPI parallel vector')
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variant('lapack', default=False,
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description='Enable LAPACK direct solvers')
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variant('klu', default=False,
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description='Enable KLU sparse, direct solver')
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variant('petsc', default=False,
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description='Enable PETSc interfaces')
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variant('superlu-mt', default=False,
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description='Enable SuperLU_MT sparse, direct solver')
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variant('superlu-dist', default=False,
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description='Enable SuperLU_DIST sparse, direct solver')
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variant('trilinos', default=False,
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description='Enable Trilinos interfaces')
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# Library type
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variant('shared', default=True,
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description='Build shared libraries')
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variant('static', default=True,
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description='Build static libraries')
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# Fortran interfaces
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variant('fcmix', default=False,
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description='Enable Fortran 77 interface')
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variant('f2003', default=False,
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description='Enable Fortran 2003 interface')
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# Examples
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variant('examples-c', default=True,
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description='Enable C examples')
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variant('examples-cxx', default=False,
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description='Enable C++ examples')
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variant('examples-f77', default=True,
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description='Enable Fortran 77 examples')
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variant('examples-f90', default=False,
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description='Enable Fortran 90 examples')
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variant('examples-f2003', default=False,
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description='Enable Fortran 2003 examples')
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variant('examples-cuda', default=False,
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description='Enable CUDA examples')
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variant('examples-install', default=True,
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description='Install examples')
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# Generic (std-c) math libraries (UNIX only)
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variant('generic-math', default=True,
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description='Use generic (std-c) math libraries on unix systems')
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# ==========================================================================
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# Conflicts
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# ==========================================================================
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# Options added after v2.6.2
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conflicts('+hypre', when='@:2.6.2')
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conflicts('+petsc', when='@:2.6.2')
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# Options added after v2.7.0
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conflicts('+cuda', when='@:2.7.0')
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conflicts('+raja', when='@:2.7.0')
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conflicts('~int64', when='@:2.7.0')
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conflicts('+examples-cuda', when='@:2.7.0')
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conflicts('+superlu-dist', when='@:4.1.0')
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conflicts('+f2003', when='@:4.1.0')
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conflicts('+trilinos', when='@:4.1.0')
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# External libraries incompatible with 64-bit indices
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conflicts('+lapack', when='@3.0.0: +int64')
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conflicts('+hypre', when='+hypre@:2.6.1a +int64')
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# External libraries incompatible with single precision
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conflicts('+klu', when='precision=single')
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conflicts('+hypre', when='+hypre@:2.12.0 precision=single')
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conflicts('+superlu-dist', when='precision=single')
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# External libraries incompatible with extended (quad) precision
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conflicts('+lapack', when='precision=extended')
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conflicts('+superlu-mt', when='precision=extended')
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conflicts('+superlu-dist', when='precision=extended')
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conflicts('+klu', when='precision=extended')
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conflicts('+hypre', when='+hypre@:2.12.0 precision=extended')
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# SuperLU_MT interface requires lapack for external blas (before v3.0.0)
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conflicts('+superlu-mt', when='@:2.7.0 ~lapack')
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# ==========================================================================
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# Dependencies
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# ==========================================================================
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# Build dependencies
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depends_on('cmake@3.5:', type='build')
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# MPI related dependencies
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depends_on('mpi', when='+mpi')
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depends_on('mpi', when='+hypre')
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depends_on('mpi', when='+petsc')
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depends_on('mpi', when='+superlu-dist')
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# Other parallelism dependencies
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depends_on('cuda', when='+cuda')
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depends_on('raja +cuda ~openmp', when='+raja')
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# External libraries
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depends_on('lapack', when='+lapack')
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depends_on('suite-sparse', when='+klu')
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depends_on('petsc +mpi', when='+petsc')
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depends_on('hypre +mpi', when='+hypre')
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depends_on('superlu-dist@6.1.1:', when='@:5.4.0 +superlu-dist')
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depends_on('superlu-dist@6.3.0:', when='@5.5.0: +superlu-dist')
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depends_on('trilinos+tpetra', when='+trilinos')
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# Require that external libraries built with the same precision
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depends_on('petsc~double~complex', when='+petsc precision=single')
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depends_on('petsc+double~complex', when='+petsc precision=double')
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# Require that external libraries built with the same index type
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depends_on('hypre~int64', when='+hypre ~int64')
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depends_on('hypre+int64', when='+hypre +int64')
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depends_on('petsc~int64', when='+petsc ~int64')
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depends_on('petsc+int64', when='+petsc +int64')
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depends_on('superlu-dist+int64', when='+superlu-dist +int64')
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# Require that SuperLU_MT built with external blas
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depends_on('superlu-mt+blas', when='+superlu-mt')
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# ==========================================================================
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# Patches
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# ==========================================================================
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# remove OpenMP header file and function from hypre vector test code
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patch('test_nvector_parhyp.patch', when='@2.7.0:3.0.0')
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patch('FindPackageMultipass.cmake.patch', when='@5.0.0')
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patch('5.5.0-xsdk-patches.patch', when='@5.5.0')
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# ==========================================================================
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# SUNDIALS Settings
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# ==========================================================================
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def cmake_args(self):
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spec = self.spec
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def on_off(varstr):
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return 'ON' if varstr in self.spec else 'OFF'
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fortran_flag = self.compiler.f77_pic_flag
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if (spec.satisfies('%apple-clang')) and ('+fcmix' in spec):
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f77 = Executable(self.compiler.f77)
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libgfortran = LibraryList(f77('--print-file-name',
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'libgfortran.a', output=str))
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fortran_flag += ' ' + libgfortran.ld_flags
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# List of CMake arguments
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# Note: CMAKE_INSTALL_PREFIX and CMAKE_BUILD_TYPE are set automatically
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args = []
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# SUNDIALS solvers
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for pkg in self.sun_solvers:
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args.extend(['-DBUILD_%s=%s' % (pkg, on_off('+' + pkg))])
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# precision
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args.extend([
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'-DSUNDIALS_PRECISION=%s' % spec.variants['precision'].value
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])
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# index type (v3.0.0 or later)
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if spec.satisfies('@3.0.0:'):
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if '+int64' in spec:
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args.extend(['-DSUNDIALS_INDEX_SIZE=64'])
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args.extend(['-DSUNDIALS_INDEX_TYPE=int64_t'])
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else:
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args.extend(['-DSUNDIALS_INDEX_SIZE=32'])
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args.extend(['-DSUNDIALS_INDEX_TYPE=int32_t'])
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# Fortran interface
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args.extend(['-DF77_INTERFACE_ENABLE=%s' % on_off('+fcmix')])
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args.extend(['-DF2003_INTERFACE_ENABLE=%s' % on_off('+f2003')])
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# library type
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args.extend([
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'-DBUILD_SHARED_LIBS=%s' % on_off('+shared'),
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'-DBUILD_STATIC_LIBS=%s' % on_off('+static')
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])
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# generic (std-c) math libraries
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args.extend([
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'-DUSE_GENERIC_MATH=%s' % on_off('+generic-math')
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])
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# parallelism
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args.extend([
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'-DMPI_ENABLE=%s' % on_off('+mpi'),
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'-DOPENMP_ENABLE=%s' % on_off('+openmp'),
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'-DPTHREAD_ENABLE=%s' % on_off('+pthread'),
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'-DCUDA_ENABLE=%s' % on_off('+cuda')
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])
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# MPI support
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if '+mpi' in spec:
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args.extend(['-DMPI_MPICC=%s' % spec['mpi'].mpicc])
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if 'examples-cxx' in spec:
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args.extend(['-DMPI_MPICXX=%s' % spec['mpi'].mpicxx])
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if ('+fcmix' in spec) and ('+examples-f77' in spec):
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args.extend(['-DMPI_MPIF77=%s' % spec['mpi'].mpif77])
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if ('+fcmix' in spec) and ('+examples-f90' in spec):
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args.extend(['-DMPI_MPIF90=%s' % spec['mpi'].mpifc])
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# Building with Hypre
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if '+hypre' in spec:
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args.extend([
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'-DHYPRE_ENABLE=ON',
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'-DHYPRE_INCLUDE_DIR=%s' % spec['hypre'].prefix.include,
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'-DHYPRE_LIBRARY_DIR=%s' % spec['hypre'].prefix.lib
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])
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else:
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args.extend([
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'-DHYPRE_ENABLE=OFF'
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])
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# Building with KLU
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if '+klu' in spec:
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args.extend([
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'-DKLU_ENABLE=ON',
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'-DKLU_INCLUDE_DIR=%s' % spec['suite-sparse'].prefix.include,
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'-DKLU_LIBRARY_DIR=%s' % spec['suite-sparse'].prefix.lib
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])
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else:
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args.extend([
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'-DKLU_ENABLE=OFF'
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])
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# Building with LAPACK
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if '+lapack' in spec:
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args.extend([
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'-DLAPACK_ENABLE=ON',
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'-DLAPACK_LIBRARIES=%s'
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% (spec['lapack'].libs + spec['blas'].libs).joined(';')
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])
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else:
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args.extend([
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'-DLAPACK_ENABLE=OFF'
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])
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# Building with PETSc
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if '+petsc' in spec:
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args.extend([
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'-DPETSC_ENABLE=ON',
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# PETSC_DIR was added in 5.0.0
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'-DPETSC_DIR=%s' % spec['petsc'].prefix,
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# The following options were removed 5.0.0, but we keep
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# them here for versions < 5.0.0.
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'-DPETSC_INCLUDE_DIR=%s' % spec['petsc'].prefix.include,
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'-DPETSC_LIBRARY_DIR=%s' % spec['petsc'].prefix.lib
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])
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else:
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args.extend([
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'-DPETSC_ENABLE=OFF'
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])
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# Building with RAJA
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if '+raja' in spec:
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args.extend([
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'-DRAJA_ENABLE=ON',
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'-DRAJA_DIR=%s' % spec['raja'].prefix.share.raja.cmake
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])
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else:
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args.extend([
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'-DRAJA_ENABLE=OFF'
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])
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# Building with SuperLU_MT
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if '+superlu-mt' in spec:
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if spec.satisfies('@3.0.0:'):
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args.extend([
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'-DBLAS_ENABLE=ON',
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'-DBLAS_LIBRARIES=%s' % spec['blas'].libs
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])
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args.extend([
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'-DSUPERLUMT_ENABLE=ON',
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'-DSUPERLUMT_INCLUDE_DIR=%s'
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% spec['superlu-mt'].prefix.include,
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'-DSUPERLUMT_LIBRARY_DIR=%s'
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% spec['superlu-mt'].prefix.lib
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])
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if spec.satisfies('^superlu-mt+openmp'):
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args.append('-DSUPERLUMT_THREAD_TYPE=OpenMP')
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else:
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args.append('-DSUPERLUMT_THREAD_TYPE=Pthread')
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else:
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args.extend([
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'-DSUPERLUMT_ENABLE=OFF'
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])
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# Building with SuperLU_DIST
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if '+superlu-dist' in spec:
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args.extend([
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'-DOPENMP_ENABLE=%s'
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% on_off('^superlu-dist+openmp'),
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'-DSUPERLUDIST_ENABLE=ON',
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'-DSUPERLUDIST_INCLUDE_DIR=%s'
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% spec['superlu-dist'].prefix.include,
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'-DSUPERLUDIST_LIBRARY_DIR=%s'
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% spec['superlu-dist'].prefix.lib,
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'-DSUPERLUDIST_LIBRARIES=%s'
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% spec['blas'].libs.joined(';'),
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'-DSUPERLUDIST_OpenMP=%s'
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% on_off('^superlu-dist+openmp')
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])
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else:
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args.extend([
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'-DSUPERLUDIST_ENABLE=OFF'
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])
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# Building with Trilinos
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if '+trilinos' in spec:
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args.extend([
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'-DTrilinos_ENABLE=ON',
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'-DTrilinos_DIR=%s'
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% spec['trilinos'].prefix
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])
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else:
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args.extend([
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'-DTrilinos_ENABLE=OFF'
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])
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# Examples
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if spec.satisfies('@3.0.0:'):
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args.extend([
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'-DEXAMPLES_ENABLE_C=%s' % on_off('+examples-c'),
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'-DEXAMPLES_ENABLE_CXX=%s' % on_off('+examples-cxx'),
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'-DEXAMPLES_ENABLE_F77=%s' % on_off('+examples-f77'),
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'-DEXAMPLES_ENABLE_F90=%s' % on_off('+examples-f90'),
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'-DEXAMPLES_ENABLE_F2003=%s' % on_off('+examples-f2003'),
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'-DEXAMPLES_ENABLE_CUDA=%s' % on_off('+examples-cuda'),
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# option removed in 5.0.0
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'-DEXAMPLES_ENABLE_RAJA=%s' % on_off('+raja')
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])
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else:
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args.extend([
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'-DEXAMPLES_ENABLE=%s' % on_off('+examples-c'),
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'-DCXX_ENABLE=%s' % on_off('+examples-cxx'),
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'-DF90_ENABLE=%s' % on_off('+examples-f90')
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])
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args.extend([
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'-DEXAMPLES_INSTALL=%s' % on_off('+examples-install')
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])
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return args
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# ==========================================================================
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# Post Install Actions
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# ==========================================================================
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@run_after('install')
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def post_install(self):
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"""Run after install to fix install name of dynamic libraries
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on Darwin to have full path and install the LICENSE file."""
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spec = self.spec
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prefix = self.spec.prefix
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if (sys.platform == 'darwin'):
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fix_darwin_install_name(prefix.lib)
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if spec.satisfies('@:3.0.0'):
|
|
install('LICENSE', prefix)
|
|
|
|
@run_after('install')
|
|
def filter_compilers(self):
|
|
"""Run after install to tell the example program Makefiles
|
|
to use the compilers that Spack built the package with.
|
|
|
|
If this isn't done, they'll have CC, CPP, and F77 set to
|
|
Spack's generic cc and f77. We want them to be bound to
|
|
whatever compiler they were built with."""
|
|
|
|
spec = self.spec
|
|
|
|
kwargs = {'ignore_absent': True, 'backup': False, 'string': True}
|
|
dirname = os.path.join(self.prefix, 'examples')
|
|
|
|
cc_files = [
|
|
'arkode/C_openmp/Makefile',
|
|
'arkode/C_parallel/Makefile',
|
|
'arkode/C_parhyp/Makefile',
|
|
'arkode/C_petsc/Makefile',
|
|
'arkode/C_serial/Makefile',
|
|
'cvode/C_openmp/Makefile',
|
|
'cvode/parallel/Makefile',
|
|
'cvode/parhyp/Makefile',
|
|
'cvode/petsc/Makefile',
|
|
'cvode/serial/Makefile',
|
|
'cvodes/C_openmp/Makefile',
|
|
'cvodes/parallel/Makefile',
|
|
'cvodes/serial/Makefile',
|
|
'ida/C_openmp/Makefile',
|
|
'ida/parallel/Makefile',
|
|
'ida/petsc/Makefile',
|
|
'ida/serial/Makefile',
|
|
'idas/C_openmp/Makefile',
|
|
'idas/parallel/Makefile',
|
|
'idas/serial/Makefile',
|
|
'kinsol/C_openmp/Makefile',
|
|
'kinsol/parallel/Makefile',
|
|
'kinsol/serial/Makefile',
|
|
'nvector/C_openmp/Makefile',
|
|
'nvector/parallel/Makefile',
|
|
'nvector/parhyp/Makefile',
|
|
'nvector/petsc/Makefile',
|
|
'nvector/pthreads/Makefile',
|
|
'nvector/serial/Makefile',
|
|
'sunlinsol/band/Makefile',
|
|
'sunlinsol/dense/Makefile',
|
|
'sunlinsol/klu/Makefile',
|
|
'sunlinsol/lapackband/Makefile',
|
|
'sunlinsol/lapackdense/Makefile',
|
|
'sunlinsol/pcg/parallel/Makefile',
|
|
'sunlinsol/pcg/serial/Makefile',
|
|
'sunlinsol/spbcgs/parallel/Makefile',
|
|
'sunlinsol/spbcgs/serial/Makefile',
|
|
'sunlinsol/spfgmr/parallel/Makefile',
|
|
'sunlinsol/spfgmr/serial/Makefile',
|
|
'sunlinsol/spgmr/parallel/Makefile',
|
|
'sunlinsol/spgmr/serial/Makefile',
|
|
'sunlinsol/sptfqmr/parallel/Makefile',
|
|
'sunlinsol/sptfqmr/serial/Makefile',
|
|
'sunlinsol/superlumt/Makefile',
|
|
'sunlinsol/superludist/Makefile',
|
|
'sunmatrix/band/Makefile',
|
|
'sunmatrix/dense/Makefile',
|
|
'sunmatrix/sparse/Makefile'
|
|
]
|
|
|
|
cxx_files = [
|
|
'arkode/CXX_parallel/Makefile',
|
|
'arkode/CXX_serial/Makefile'
|
|
'cvode/cuda/Makefile',
|
|
'cvode/raja/Makefile',
|
|
'nvector/cuda/Makefile',
|
|
'nvector/raja/Makefile'
|
|
]
|
|
|
|
f77_files = [
|
|
'arkode/F77_parallel/Makefile',
|
|
'arkode/F77_serial/Makefile',
|
|
'cvode/fcmix_parallel/Makefile',
|
|
'cvode/fcmix_serial/Makefile',
|
|
'ida/fcmix_openmp/Makefile',
|
|
'ida/fcmix_parallel/Makefile',
|
|
'ida/fcmix_pthreads/Makefile',
|
|
'ida/fcmix_serial/Makefile',
|
|
'kinsol/fcmix_parallel/Makefile',
|
|
'kinsol/fcmix_serial/Makefile'
|
|
]
|
|
|
|
f90_files = [
|
|
'arkode/F90_parallel/Makefile',
|
|
'arkode/F90_serial/Makefile'
|
|
]
|
|
|
|
f2003_files = [
|
|
'arkode/F2003_serial/Makefile',
|
|
'cvode/F2003_serial/Makefile',
|
|
'cvodes/F2003_serial/Makefike',
|
|
'ida/F2003_serial/Makefile',
|
|
'idas/F2003_serial/Makefile',
|
|
'kinsol/F2003_serial/Makefile'
|
|
]
|
|
|
|
for filename in cc_files:
|
|
filter_file(os.environ['CC'], self.compiler.cc,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
for filename in cc_files:
|
|
filter_file(r'^CPP\s*=.*', self.compiler.cc,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
for filename in cxx_files:
|
|
filter_file(os.environ['CXX'], self.compiler.cxx,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
for filename in cxx_files:
|
|
filter_file(r'^CPP\s*=.*', self.compiler.cc,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
if ('+fcmix' in spec) and ('+examples-f77' in spec):
|
|
for filename in f77_files:
|
|
filter_file(os.environ['F77'], self.compiler.f77,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
if ('+fcmix' in spec) and ('+examples-f90' in spec):
|
|
for filename in f90_files:
|
|
filter_file(os.environ['FC'], self.compiler.fc,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
if ('+f2003' in spec) and ('+examples-f2003' in spec):
|
|
for filename in f2003_files:
|
|
filter_file(os.environ['FC'], self.compiler.fc,
|
|
os.path.join(dirname, filename), **kwargs)
|
|
|
|
@property
|
|
def headers(self):
|
|
"""Export the headers and defines of SUNDIALS.
|
|
Sample usage: spec['sundials'].headers.cpp_flags
|
|
"""
|
|
# SUNDIALS headers are inside subdirectories, so we use a fake header
|
|
# in the include directory.
|
|
hdr = find(self.prefix.include.nvector, 'nvector_serial.h',
|
|
recursive=False)
|
|
return HeaderList(join_path(self.spec.prefix.include, 'fake.h')) \
|
|
if hdr else None
|
|
|
|
@property
|
|
def libs(self):
|
|
"""Export the libraries of SUNDIALS.
|
|
Sample usage: spec['sundials'].libs.ld_flags
|
|
spec['sundials:arkode,cvode'].libs.ld_flags
|
|
"""
|
|
query_parameters = self.spec.last_query.extra_parameters
|
|
if not query_parameters:
|
|
sun_libs = 'libsundials_*[!0-9]'
|
|
# Q: should the result be ordered by dependency?
|
|
else:
|
|
sun_libs = ['libsundials_' + p for p in query_parameters]
|
|
is_shared = '+shared' in self.spec
|
|
|
|
libs = find_libraries(sun_libs, root=self.prefix, shared=is_shared,
|
|
recursive=True)
|
|
|
|
return libs or None # Raise an error if no libs are found
|