# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) import os from spack.package import * class Elpa(AutotoolsPackage, CudaPackage, ROCmPackage): """Eigenvalue solvers for Petaflop-Applications (ELPA)""" homepage = 'https://elpa.mpcdf.mpg.de/' url = 'https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2015.11.001/elpa-2015.11.001.tar.gz' version('2021.11.001', sha256='fb361da6c59946661b73e51538d419028f763d7cb9dacf9d8cd5c9cd3fb7802f') version('2021.05.002_bugfix', sha256='deabc48de5b9e4b2f073d749d335c8f354a7ce4245b643a23b7951cd6c90224b') version('2021.05.001', sha256='a4f1a4e3964f2473a5f8177f2091a9da5c6b5ef9280b8272dfefcbc3aad44d41') version('2020.05.001', sha256='66ff1cf332ce1c82075dc7b5587ae72511d2bcb3a45322c94af6b01996439ce5') version('2019.11.001', sha256='10374a8f042e23c7e1094230f7e2993b6f3580908a213dbdf089792d05aff357') version('2019.05.002', sha256='d2eab5e5d74f53601220b00d18185670da8c00c13e1c1559ecfb0cd7cb2c4e8d') version('2018.11.001', sha256='cc27fe8ba46ce6e6faa8aea02c8c9983052f8e73a00cfea38abf7613cb1e1b16') version('2018.05.001.rc1', sha256='598c01da20600a4514ea4d503b93e977ac0367e797cab7a7c1b0e0e3e86490db') version('2017.11.001', sha256='59f99c3abe2190fac0db8a301d0b9581ee134f438669dbc92551a54f6f861820') version('2017.05.003', sha256='bccd49ce35a323bd734b17642aed8f2588fea4cc78ee8133d88554753bc3bf1b') version('2017.05.002', sha256='568b71024c094d667b5cbb23045ad197ed5434071152ac608dae490ace5eb0aa') version('2017.05.001', sha256='28f7edad60984d93da299016ad33571dc6db1cdc9fab0ceaef05dc07de2c7dfd') version('2016.11.001.pre', sha256='69b67f0f6faaa2b3b5fd848127b632be32771636d2ad04583c5269d550956f92') version('2016.05.004', sha256='08c59dc9da458bab856f489d779152e5506e04f0d4b8d6dcf114ca5fbbe46c58') version('2016.05.003', sha256='c8da50c987351514e61491e14390cdea4bdbf5b09045261991876ed5b433fca4') version('2015.11.001', sha256='c0761a92a31c08a4009c9688c85fc3fc8fde9b6ce05e514c3e1587cf045e9eba') variant('openmp', default=True, description='Activates OpenMP support') variant('mpi', default=True, description='Activates MPI support') depends_on('blas') depends_on('lapack') depends_on('mpi', when='+mpi') depends_on('scalapack', when='+mpi') depends_on('rocblas', when='+rocm') depends_on('libtool', type='build') depends_on('python@:2', type='build', when='@:2020.05.001') depends_on('python@3:', type='build', when='@2020.11.001:') with when('@2021.11.01:'): variant('autotune', default=False, description='Enables autotuning for matrix restribution') depends_on('scalapack', when='+autotune') patch('python_shebang.patch', when='@:2020.05.001') # fails to build due to broken type-bound procedures in OMP parallel regions conflicts('+openmp', when='@2021.05.001: %gcc@:7', msg='ELPA-2021.05.001+ requires GCC-8+ for OpenMP support') conflicts('+rocm', when='@:2020', msg='ROCm support was introduced in ELPA 2021.05.001') conflicts('+mpi', when='+rocm', msg='ROCm support and MPI are not yet compatible') def url_for_version(self, version): return ('https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/{0}/elpa-{0}.tar.gz' .format(str(version))) # override default implementation which returns static lib @property def libs(self): libname = 'libelpa_openmp' if '+openmp' in self.spec else 'libelpa' return find_libraries( libname, root=self.prefix, shared=True, recursive=True ) @property def headers(self): suffix = '_openmp' if self.spec.satisfies('+openmp') else '' # upstream sometimes adds tarball suffixes not part of the internal version elpa_version = str(self.spec.version) for vsuffix in ("_bugfix", ): if elpa_version.endswith(vsuffix): # implementation of py3.9 removesuffix elpa_version = elpa_version[:-len(vsuffix)] incdir = os.path.join( self.spec.prefix.include, 'elpa{suffix}-{version}'.format( suffix=suffix, version=elpa_version)) hlist = find_all_headers(incdir) hlist.directories = [incdir] return hlist build_directory = 'spack-build' parallel = False def configure_args(self): spec = self.spec options = [] options += self.with_or_without('mpi') # TODO: --disable-sse-assembly, --enable-sparc64, --enable-neon-arch64 simd_features = ['vsx', 'sse', 'avx', 'avx2', 'avx512', 'sve128', 'sve256', 'sve512'] for feature in simd_features: msg = '--enable-{0}' if feature in spec.target else '--disable-{0}' options.append(msg.format(feature)) if spec.target.family == 'aarch64': options.append('--disable-sse-assembly') if '%aocc' in spec: options.append('--disable-shared') options.append('--enable-static') # If no features are found, enable the generic ones if not any(f in spec.target for f in simd_features): options.append('--enable-generic') if self.compiler.name == "gcc": gcc_options = [] gfortran_options = ['-ffree-line-length-none'] if self.compiler.version >= Version("10.0.0") \ and spec.version <= Version("2019.11.001"): gfortran_options.append('-fallow-argument-mismatch') space_separator = ' ' options.extend([ 'CFLAGS=' + space_separator.join(gcc_options), 'FCFLAGS=' + space_separator.join(gfortran_options), ]) if '%aocc' in spec: options.extend([ 'FCFLAGS=-O3', 'CFLAGS=-O3' ]) cuda_flag = 'nvidia-gpu' if '@2021.05.001:' in self.spec else 'gpu' if '+cuda' in spec: prefix = spec['cuda'].prefix options.append('--enable-{0}'.format(cuda_flag)) options.append('--with-cuda-path={0}'.format(prefix)) options.append('--with-cuda-sdk-path={0}'.format(prefix)) cuda_arch = spec.variants['cuda_arch'].value[0] if cuda_arch != 'none': options.append('--with-{0}-compute-capability=sm_{1}'. format(cuda_flag.upper(), cuda_arch)) else: options.append('--disable-{0}'.format(cuda_flag)) if '+rocm' in spec: options.append('--enable-amd-gpu') options.append('CXX={0}'.format(self.spec['hip'].hipcc)) elif '@2021.05.001:' in self.spec: options.append('--disable-amd-gpu') options += self.enable_or_disable('openmp') options += [ 'LDFLAGS={0}'.format(spec['lapack'].libs.search_flags), 'LIBS={0} {1}'.format( spec['lapack'].libs.link_flags, spec['blas'].libs.link_flags)] if '+mpi' in self.spec: options += [ 'CC={0}'.format(spec['mpi'].mpicc), 'CXX={0}'.format(spec['mpi'].mpicxx), 'FC={0}'.format(spec['mpi'].mpifc), 'SCALAPACK_LDFLAGS={0}'.format(spec['scalapack'].libs.joined()) ] if '+autotune' in self.spec: options.append('--enable-autotune-redistribute-matrix') options.append('--disable-silent-rules') options.append('--without-threading-support-check-during-build') return options