182 lines
7.5 KiB
Python
182 lines
7.5 KiB
Python
# Copyright 2013-2021 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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from spack import *
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class Elpa(AutotoolsPackage, CudaPackage, ROCmPackage):
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"""Eigenvalue solvers for Petaflop-Applications (ELPA)"""
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homepage = 'https://elpa.mpcdf.mpg.de/'
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url = 'https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2015.11.001/elpa-2015.11.001.tar.gz'
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version('2021.11.001', sha256='fb361da6c59946661b73e51538d419028f763d7cb9dacf9d8cd5c9cd3fb7802f')
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version('2021.05.002_bugfix', sha256='deabc48de5b9e4b2f073d749d335c8f354a7ce4245b643a23b7951cd6c90224b')
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version('2021.05.001', sha256='a4f1a4e3964f2473a5f8177f2091a9da5c6b5ef9280b8272dfefcbc3aad44d41')
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version('2020.05.001', sha256='66ff1cf332ce1c82075dc7b5587ae72511d2bcb3a45322c94af6b01996439ce5')
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version('2019.11.001', sha256='10374a8f042e23c7e1094230f7e2993b6f3580908a213dbdf089792d05aff357')
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version('2019.05.002', sha256='d2eab5e5d74f53601220b00d18185670da8c00c13e1c1559ecfb0cd7cb2c4e8d')
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version('2018.11.001', sha256='cc27fe8ba46ce6e6faa8aea02c8c9983052f8e73a00cfea38abf7613cb1e1b16')
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version('2018.05.001.rc1', sha256='598c01da20600a4514ea4d503b93e977ac0367e797cab7a7c1b0e0e3e86490db')
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version('2017.11.001', sha256='59f99c3abe2190fac0db8a301d0b9581ee134f438669dbc92551a54f6f861820')
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version('2017.05.003', sha256='bccd49ce35a323bd734b17642aed8f2588fea4cc78ee8133d88554753bc3bf1b')
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version('2017.05.002', sha256='568b71024c094d667b5cbb23045ad197ed5434071152ac608dae490ace5eb0aa')
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version('2017.05.001', sha256='28f7edad60984d93da299016ad33571dc6db1cdc9fab0ceaef05dc07de2c7dfd')
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version('2016.11.001.pre', sha256='69b67f0f6faaa2b3b5fd848127b632be32771636d2ad04583c5269d550956f92')
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version('2016.05.004', sha256='08c59dc9da458bab856f489d779152e5506e04f0d4b8d6dcf114ca5fbbe46c58')
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version('2016.05.003', sha256='c8da50c987351514e61491e14390cdea4bdbf5b09045261991876ed5b433fca4')
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version('2015.11.001', sha256='c0761a92a31c08a4009c9688c85fc3fc8fde9b6ce05e514c3e1587cf045e9eba')
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variant('openmp', default=True, description='Activates OpenMP support')
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variant('mpi', default=True, description='Activates MPI support')
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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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depends_on('scalapack', when='+mpi')
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depends_on('rocblas', when='+rocm')
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depends_on('libtool', type='build')
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depends_on('python@:2', type='build', when='@:2020.05.001')
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depends_on('python@3:', type='build', when='@2020.11.001:')
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with when('@2021.11.01:'):
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variant('autotune', default=False,
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description='Enables autotuning for matrix restribution')
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depends_on('scalapack', when='+autotune')
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patch('python_shebang.patch', when='@:2020.05.001')
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# fails to build due to broken type-bound procedures in OMP parallel regions
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conflicts('+openmp', when='@2021.05.001: %gcc@:7',
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msg='ELPA-2021.05.001+ requires GCC-8+ for OpenMP support')
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conflicts('+rocm', when='@:2020',
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msg='ROCm support was introduced in ELPA 2021.05.001')
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conflicts('+mpi', when='+rocm',
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msg='ROCm support and MPI are not yet compatible')
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def url_for_version(self, version):
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return ('https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/{0}/elpa-{0}.tar.gz'
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.format(str(version)))
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# override default implementation which returns static lib
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@property
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def libs(self):
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libname = 'libelpa_openmp' if '+openmp' in self.spec else 'libelpa'
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return find_libraries(
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libname, root=self.prefix, shared=True, recursive=True
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)
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@property
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def headers(self):
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suffix = '_openmp' if self.spec.satisfies('+openmp') else ''
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# upstream sometimes adds tarball suffixes not part of the internal version
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elpa_version = str(self.spec.version)
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for vsuffix in ("_bugfix", ):
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if elpa_version.endswith(vsuffix): # implementation of py3.9 removesuffix
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elpa_version = elpa_version[:-len(vsuffix)]
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incdir = os.path.join(
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self.spec.prefix.include,
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'elpa{suffix}-{version}'.format(
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suffix=suffix, version=elpa_version))
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hlist = find_all_headers(incdir)
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hlist.directories = [incdir]
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return hlist
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build_directory = 'spack-build'
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parallel = False
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def configure_args(self):
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spec = self.spec
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options = []
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options += self.with_or_without('mpi')
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# TODO: --disable-sse-assembly, --enable-sparc64, --enable-neon-arch64
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simd_features = ['vsx', 'sse', 'avx', 'avx2', 'avx512',
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'sve128', 'sve256', 'sve512']
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for feature in simd_features:
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msg = '--enable-{0}' if feature in spec.target else '--disable-{0}'
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options.append(msg.format(feature))
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if spec.target.family == 'aarch64':
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options.append('--disable-sse-assembly')
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if '%aocc' in spec:
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options.append('--disable-shared')
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options.append('--enable-static')
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# If no features are found, enable the generic ones
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if not any(f in spec.target for f in simd_features):
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options.append('--enable-generic')
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if self.compiler.name == "gcc":
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gcc_options = []
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gfortran_options = ['-ffree-line-length-none']
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if self.compiler.version >= Version("10.0.0") \
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and spec.version <= Version("2019.11.001"):
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gfortran_options.append('-fallow-argument-mismatch')
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space_separator = ' '
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options.extend([
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'CFLAGS=' + space_separator.join(gcc_options),
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'FCFLAGS=' + space_separator.join(gfortran_options),
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])
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if '%aocc' in spec:
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options.extend([
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'FCFLAGS=-O3',
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'CFLAGS=-O3'
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])
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cuda_flag = 'nvidia-gpu' if '@2021.05.001:' in self.spec else 'gpu'
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if '+cuda' in spec:
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prefix = spec['cuda'].prefix
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options.append('--enable-{0}'.format(cuda_flag))
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options.append('--with-cuda-path={0}'.format(prefix))
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options.append('--with-cuda-sdk-path={0}'.format(prefix))
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cuda_arch = spec.variants['cuda_arch'].value[0]
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if cuda_arch != 'none':
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options.append('--with-{0}-compute-capability=sm_{1}'.
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format(cuda_flag.upper(), cuda_arch))
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else:
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options.append('--disable-{0}'.format(cuda_flag))
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if '+rocm' in spec:
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options.append('--enable-amd-gpu')
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options.append('CXX={0}'.format(self.spec['hip'].hipcc))
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elif '@2021.05.001:' in self.spec:
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options.append('--disable-amd-gpu')
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options += self.enable_or_disable('openmp')
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options += [
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'LDFLAGS={0}'.format(spec['lapack'].libs.search_flags),
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'LIBS={0} {1}'.format(
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spec['lapack'].libs.link_flags, spec['blas'].libs.link_flags)]
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if '+mpi' in self.spec:
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options += [
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'CC={0}'.format(spec['mpi'].mpicc),
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'CXX={0}'.format(spec['mpi'].mpicxx),
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'FC={0}'.format(spec['mpi'].mpifc),
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'SCALAPACK_LDFLAGS={0}'.format(spec['scalapack'].libs.joined())
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]
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if '+autotune' in self.spec:
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options.append('--enable-autotune-redistribute-matrix')
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options.append('--disable-silent-rules')
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return options
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