# 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 Petsc(Package, CudaPackage, ROCmPackage): """PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. """ homepage = "https://www.mcs.anl.gov/petsc/index.html" url = "https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-3.15.0.tar.gz" git = "https://gitlab.com/petsc/petsc.git" maintainers = ['balay', 'barrysmith', 'jedbrown'] tags = ['e4s'] version('main', branch='main') version('3.17.3', sha256='5c24ade5e4b32cc04935ba0db1dafe48d633bebaaa30a3033f1e58788d37875f') version('3.17.2', sha256='2313dd1ca41bf0ace68671ea6f8d4abf90011ed899f5e1e08658d3f18478359d') version('3.17.1', sha256='c504609d9f532327c20b6363d6a6c7647ebd3c98acfb382c28fcd3852300ddd1') version('3.17.0', sha256='96d5aca684e1ce1425891a620d278773c25611cb144165a93b17531238eaaf8a') version('3.16.6', sha256='bfc836b52f57686b583c16ab7fae0c318a7b28141ca01656ad673c8ca23037fa') version('3.16.5', sha256='7de8570eeb94062752d82a83208fc2bafc77b3f515023a4c14d8ff9440e66cac') version('3.16.4', sha256='229cce22bdcfedb1fe827d306ed1afca9737786cdc3f0562b74a1966c1243caf') version('3.16.3', 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sha256='319cb5a875a692a67fe5b1b90009ba8f182e21921ae645d38106544aff20c3c1') version('3.11.3', sha256='199ad9650a9f58603b49e7fff7cd003ceb03aa231e5d37d0bf0496c6348eca81') version('3.11.2', sha256='4d244dd7d1565d6534e776445fcf6977a6ee2a8bb2be4a36ac1e0fc1f9ad9cfa') version('3.11.1', sha256='cb627f99f7ce1540ebbbf338189f89a5f1ecf3ab3b5b0e357f9e46c209f1fb23') version('3.11.0', sha256='b3bed2a9263193c84138052a1b92d47299c3490dd24d1d0bf79fb884e71e678a') version('3.10.5', sha256='3a81c8406410e0ffa8a3e9f8efcdf2e683cc40613c9bb5cb378a6498f595803e') version('3.10.4', sha256='6c836df84caa9ae683ae401d3f94eb9471353156fec6db602bf2e857e4ec339f') version('3.10.3', sha256='cd106babbae091604fee40c258737c84dec048949be779eaef5a745df3dc8de4') version('3.10.2', sha256='9d3381bcf9c63abe6521b21a88efc70f8e893293503cff497971d0d9c1ec68cc') version('3.10.1', sha256='b6e64ce062113ee0e2e2a6cfffb4d33c085ec91d5bc3afeb33781074aa5a22a5') version('3.10.0', sha256='6ebacc010397ea47649495e8363cd7d7d86b876e6df07c6f6ccfa48b22fa555c') version('3.9.4', sha256='ecc647c9b1ef565a2c113936454c65632eedc1626e0fc99b5a36accb91195a63') version('3.9.3', sha256='6c7f2c7a28433385d74d647b4934aaeea3c1b3053b207973c9497639b6ebf7c8') version('3.9.2', sha256='ab396ae5dbfff808df1b5648f5ce30f3021ec70faec3d5cd63df324d416ac6ac') version('3.9.1', sha256='742e838a35d278693e956ed1ca4592c1d663451f6beea0694bf334aeb67681e8') version('3.9.0', sha256='dcbcab1f321667be1c6e5f8e7b4ee8670bb09e372e51f1ea6471464519d54b2d') version('3.8.4', sha256='9f78dc4dd4c58433fa18d3dd3a9029e39a83e4e4b64f845a029dd9fed44bc4c7') version('3.8.3', sha256='01f9c3ed937eafac6c9e006510b61c7cd07197115ec40c429fc835f346ca3eac') version('3.8.2', sha256='42690508d408e31fb98be738ac097bc869be14c5bfe08dda2184243283ceb16a') version('3.8.1', sha256='9b48a9e72d304046923667d2ab1f201778cc56242928a374ff9e074843a334ff') version('3.8.0', sha256='1e1b4d90ccbf98dc5759a956ac9a771310a6690f1cbb37b31502b29568262d7e') version('3.7.7', sha256='40fd3bc76998e056c4097704c08f28eb89bf3b93164dc9e69abab393f43bf6f0') version('3.7.6', sha256='3c8ee051349587d45baa7910c54ce8e0a571592e3b40f3054a7b7f986919d449') version('3.7.5', sha256='493ab0b6c1b3fe68e71d990eff87c84f499f680e6d2c0c394e78646a82ed4be3') version('3.7.4', sha256='54b804f924ea5be3b6718b4d4e98f8ccb9d1bd6bbbd1e9c0f18c4a90ddf5db18') version('3.7.2', sha256='36681dd0df97e0d5cd182d902e89f527eb8f441f05271159dac5340acb4cf0ec') version('3.6.4', sha256='eb09925a139b52b4dd5a071b3da4fe2165f1d6e8f71d410479603c9976c940f0') version('3.6.3', sha256='776e2644e4003653c56a44a6f7c02c41427af26f7c5cd9bec3aa84ed90223245') version('3.5.3', sha256='68e6a42f5ec75bad87f74d4df8f55ad63f0c4d996f162da6713cb3d6f566830d') version('3.5.2', sha256='1a8f09af654afab787c732e7b2f5d0c1d856777398148351565389d38d30935e') version('3.5.1', sha256='199af205f62dcc572728600670c7d4c8cb0d4efc4172c26f02b895d9dd1df245') version('3.4.4', sha256='fa73b99caf70c416a967234f5476cdb1d2c014610ee0619e48f54d8d309631b7') variant('shared', default=True, description='Enables the build of shared libraries') variant('mpi', default=True, description='Activates MPI support') variant('double', default=True, description='Switches between single and double precision') variant('complex', default=False, description='Build with complex numbers') variant('debug', default=False, description='Compile in debug mode') variant('metis', default=True, description='Activates support for metis and parmetis') variant('ptscotch', default=False, description='Activates support for PTScotch (only parallel)') variant('hdf5', default=True, description='Activates support for HDF5 (only parallel)') variant('hypre', default=True, description='Activates support for Hypre (only parallel)') variant('hpddm', default=False, description='Activates support for HPDDM (only parallel)') variant('mmg', default=False, description='Activates support for MMG') variant('parmmg', default=False, description='Activates support for ParMMG (only parallel)') variant('tetgen', default=False, description='Activates support for Tetgen') # Mumps is disabled by default, because it depends on Scalapack # which is not portable to all HPC systems variant('mumps', default=False, description='Activates support for MUMPS (only parallel)') variant('superlu-dist', default=True, when='+fortran', description='Activates support for superlu-dist (only parallel)') variant('strumpack', default=False, description='Activates support for Strumpack') variant('scalapack', default=False, when='+fortran', description='Activates support for Scalapack') variant('trilinos', default=False, description='Activates support for Trilinos (only parallel)') variant('mkl-pardiso', default=False, description='Activates support for MKL Pardiso') variant('int64', default=False, description='Compile with 64bit indices') variant('clanguage', default='C', values=('C', 'C++'), description='Specify C (recommended) or C++ to compile PETSc', multi=False) variant('fftw', default=False, description='Activates support for FFTW (only parallel)') variant('suite-sparse', default=False, description='Activates support for SuiteSparse') variant('knl', default=False, description='Build for KNL') variant('X', default=False, description='Activate X support') variant('batch', default=False, description='Enable when mpiexec is not available to run binaries') variant('valgrind', default=False, description='Enable Valgrind Client Request mechanism') variant('jpeg', default=False, description='Activates support for JPEG') variant('libpng', default=False, description='Activates support for PNG') variant('giflib', default=False, description='Activates support for GIF') variant('mpfr', default=False, description='Activates support for MPFR') variant('moab', default=False, description='Acivates support for MOAB (only parallel)') variant('random123', default=False, description='Activates support for Random123') variant('exodusii', default=False, description='Activates support for ExodusII (only parallel)') variant('cgns', default=False, description='Activates support for CGNS (only parallel)') variant('memkind', default=False, description='Activates support for Memkind') variant('p4est', default=False, description='Activates support for P4Est (only parallel)') variant('saws', default=False, description='Activates support for Saws') variant('libyaml', default=False, description='Activates support for YAML') variant('openmp', default=False, description='Activates support for openmp') variant('hwloc', default=False, description='Activates support for hwloc') variant('kokkos', default=False, description='Activates support for kokkos and kokkos-kernels') variant('fortran', default=True, description='Activates fortran support') # 3.8.0 has a build issue with MKL - so list this conflict explicitly conflicts('^intel-mkl', when='@3.8.0') # These require +mpi mpi_msg = 'Requires +mpi' conflicts('+cgns', when='~mpi', msg=mpi_msg) conflicts('+exodusii', when='~mpi', msg=mpi_msg) conflicts('+fftw', when='~mpi', msg=mpi_msg) conflicts('+hdf5', when='~mpi', msg=mpi_msg) conflicts('+hypre', when='~mpi', msg=mpi_msg) conflicts('+hpddm', when='~mpi', msg=mpi_msg) conflicts('+parmmg', when='~mpi', msg=mpi_msg) conflicts('+moab', when='~mpi', msg=mpi_msg) conflicts('+mumps', when='~mpi', msg=mpi_msg) conflicts('+p4est', when='~mpi', msg=mpi_msg) conflicts('+ptscotch', when='~mpi', msg=mpi_msg) conflicts('+superlu-dist', when='~mpi', msg=mpi_msg) conflicts('+trilinos', when='~mpi', msg=mpi_msg) conflicts('+kokkos', when='~mpi', msg=mpi_msg) conflicts('^openmpi~cuda', when='+cuda') # +cuda requires CUDA enabled OpenMPI # older versions of petsc did not support mumps when +int64 conflicts('+mumps', when='@:3.12+int64') filter_compiler_wrappers( 'petscvariables', relative_root='lib/petsc/conf' ) @run_before('configure') def check_fortran_compiler(self): # Raise error if +fortran and there isn't a fortran compiler! if '+fortran' in self.spec and self.compiler.fc is None: raise InstallError("+fortran requires a fortran compiler!") # temporary workaround Clang 8.1.0 with XCode 8.3 on macOS, see # https://bitbucket.org/petsc/petsc/commits/4f290403fdd060d09d5cb07345cbfd52670e3cbc # the patch is an adaptation of the original commit to 3.7.5 patch('macos-clang-8.1.0.diff', when='@3.7.5%apple-clang@8.1.0:') patch('pkg-config-3.7.6-3.8.4.diff', when='@3.7.6:3.8.4') patch('xcode_stub_out_of_sync.patch', when='@:3.10.4') patch('xlf_fix-dup-petscfecreate.patch', when='@3.11.0') patch('disable-DEPRECATED_ENUM.diff', when='@3.14.1 +cuda') depends_on('diffutils', type='build') # Virtual dependencies # Git repository needs sowing to build Fortran interface depends_on('sowing', when='@main') # PETSc, hypre, superlu_dist when built with int64 use 32 bit integers # with BLAS/LAPACK depends_on('blas') depends_on('lapack') depends_on('mpi', when='+mpi') depends_on('cuda', when='+cuda') depends_on('hip', when='+rocm') depends_on('hipblas', when='+rocm') depends_on('hipsparse', when='+rocm') depends_on('rocsparse', when='+rocm') depends_on('rocsolver', when='+rocm') depends_on('rocblas', when='+rocm') depends_on('rocrand', when='+rocm') depends_on('rocthrust', when='+rocm') depends_on('rocprim', when='+rocm') # Build dependencies depends_on('python@2.6:2.8', type='build', when='@:3.10') depends_on('python@2.6:2.8,3.4:', type='build', when='@3.11:') # Other dependencies depends_on('metis@5:~int64+real64', when='@:3.7+metis~int64+double') depends_on('metis@5:~int64', when='@:3.7+metis~int64~double') depends_on('metis@5:+int64+real64', when='@:3.7+metis+int64+double') depends_on('metis@5:+int64', when='@:3.7+metis+int64~double') # petsc-3.8+ uses default (float) metis with any (petsc) precision depends_on('metis@5:~int64', when='@3.8:+metis~int64') depends_on('metis@5:+int64', when='@3.8:+metis+int64') # PTScotch: Currently disable Parmetis wrapper, this means # nested disection won't be available thought PTScotch depends_on('scotch+esmumps~metis+mpi', when='+ptscotch') depends_on('scotch+int64', when='+ptscotch+int64') depends_on('hdf5@:1.10+mpi', when='@:3.12+hdf5+mpi') depends_on('hdf5+mpi', when='@3.13:+hdf5+mpi') depends_on('hdf5+mpi', when='+exodusii+mpi') depends_on('hdf5+mpi', when='+cgns+mpi') depends_on('zlib', when='+hdf5') depends_on('zlib', when='+libpng') depends_on('zlib', when='+p4est') depends_on('parmetis+int64', when='+metis+mpi+int64') depends_on('parmetis~int64', when='+metis+mpi~int64') depends_on('valgrind', when='+valgrind') depends_on('mmg', when='+mmg') depends_on('parmmg', when='+parmmg') depends_on('tetgen+pic', when='+tetgen') # hypre+/~fortran based on wheter fortran is enabled/disabled depends_on('hypre+fortran', when='+hypre+fortran') depends_on('hypre~fortran', when='+hypre~fortran') # Hypre does not support complex numbers. # Also PETSc prefer to build it without internal superlu, likely due to # conflict in headers see # https://bitbucket.org/petsc/petsc/src/90564b43f6b05485163c147b464b5d6d28cde3ef/config/BuildSystem/config/packages/hypre.py depends_on('hypre@:2.13+mpi~internal-superlu~int64', when='@:3.8+hypre+mpi~complex~int64') depends_on('hypre@:2.13+mpi~internal-superlu+int64', when='@:3.8+hypre+mpi~complex+int64') depends_on('hypre@2.14:2.18.2+mpi~internal-superlu~int64', when='@3.9:3.13+hypre+mpi~complex~int64') depends_on('hypre@2.14:2.18.2+mpi~internal-superlu+int64', when='@3.9:3.13+hypre+mpi~complex+int64') depends_on('hypre@2.14:2.22.0+mpi~internal-superlu~int64', when='@3.14:3.15+hypre+mpi~complex~int64') depends_on('hypre@2.14:2.22.0+mpi~internal-superlu+int64', when='@3.14:3.15+hypre+mpi~complex+int64') depends_on('hypre@2.14:+mpi~internal-superlu~int64', when='@3.16:+hypre+mpi~complex~int64') depends_on('hypre@2.14:+mpi~internal-superlu+int64', when='@3.16:+hypre+mpi~complex+int64') depends_on('hypre@develop+mpi~internal-superlu+int64', when='@main+hypre+mpi~complex+int64') depends_on('hypre@develop+mpi~internal-superlu~int64', when='@main+hypre+mpi~complex~int64') depends_on('superlu-dist@:4.3~int64', when='@3.4.4:3.6.4+superlu-dist+mpi~int64') depends_on('superlu-dist@:4.3+int64', when='@3.4.4:3.6.4+superlu-dist+mpi+int64') depends_on('superlu-dist@5.0.0:5.1.3~int64', when='@3.7.0:3.7+superlu-dist+mpi~int64') depends_on('superlu-dist@5.0.0:5.1.3+int64', when='@3.7.0:3.7+superlu-dist+mpi+int64') depends_on('superlu-dist@5.2.0:5.2~int64', when='@3.8:3.9+superlu-dist+mpi~int64') depends_on('superlu-dist@5.2.0:5.2+int64', when='@3.8:3.9+superlu-dist+mpi+int64') depends_on('superlu-dist@5.4.0:5.4~int64', when='@3.10:3.10.2+superlu-dist+mpi~int64') depends_on('superlu-dist@5.4.0:5.4+int64', when='@3.10:3.10.2+superlu-dist+mpi+int64') depends_on('superlu-dist@6.1.0:6.1~int64', when='@3.10.3:3.12+superlu-dist+mpi~int64') depends_on('superlu-dist@6.1.0:6.1+int64', when='@3.10.3:3.12+superlu-dist+mpi+int64') depends_on('superlu-dist@6.1:~int64', when='@3.13.0:+superlu-dist+mpi~int64') depends_on('superlu-dist@6.1:+int64', when='@3.13.0:+superlu-dist+mpi+int64') depends_on('superlu-dist@develop~int64', when='@main+superlu-dist+mpi~int64') depends_on('superlu-dist@develop+int64', when='@main+superlu-dist+mpi+int64') depends_on('strumpack', when='+strumpack') depends_on('scalapack', when='+strumpack') depends_on('metis', when='+strumpack') depends_on('scalapack', when='+scalapack') depends_on('mumps+mpi~int64~metis~parmetis~openmp', when='+mumps~metis~openmp') depends_on('mumps+mpi~int64+metis+parmetis~openmp', when='+mumps+metis~openmp') depends_on('mumps+mpi~int64~metis~parmetis+openmp', when='+mumps~metis+openmp') depends_on('mumps+mpi~int64+metis+parmetis+openmp', when='+mumps+metis+openmp') depends_on('scalapack', when='+mumps') depends_on('trilinos@12.6.2:+mpi', when='@3.7.0:+trilinos+mpi') depends_on('trilinos@develop+mpi', when='@main+trilinos+mpi') depends_on('mkl', when='+mkl-pardiso') depends_on('fftw+mpi', when='+fftw+mpi') depends_on('suite-sparse', when='+suite-sparse') depends_on('libx11', when='+X') depends_on('mpfr', when='+mpfr') depends_on('gmp', when='+mpfr') depends_on('jpeg', when='+jpeg') depends_on('libpng', when='+libpng') depends_on('giflib', when='+giflib') depends_on('exodusii+mpi', when='+exodusii+mpi') depends_on('netcdf-c+mpi', when='+exodusii+mpi') depends_on('parallel-netcdf', when='+exodusii+mpi') depends_on('random123', when='+random123') depends_on('moab+mpi', when='+moab+mpi') depends_on('cgns+mpi', when='+cgns+mpi') depends_on('memkind', when='+memkind') depends_on('p4est+mpi', when='+p4est+mpi') depends_on('saws', when='+saws') depends_on('libyaml', when='+libyaml') depends_on('hwloc', when='+hwloc') depends_on('kokkos', when='+kokkos') depends_on('kokkos-kernels', when='+kokkos') depends_on('kokkos+cuda+wrapper+cuda_lambda', when='+kokkos +cuda') depends_on('kokkos-kernels+cuda', when='+kokkos +cuda') depends_on('kokkos+rocm', when='+kokkos +rocm') phases = ['configure', 'build', 'install'] # Using the following tarballs # * petsc-3.12 (and older) - includes docs # * petsc-lite-3.13, petsc-lite-3.14 (without docs) # * petsc-3.15 and newer (without docs) def url_for_version(self, version): if self.spec.satisfies('@3.13.0:3.14.6'): return "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-lite-{0}.tar.gz".format(version) else: return "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-{0}.tar.gz".format(version) def mpi_dependent_options(self): if '~mpi' in self.spec: compiler_opts = [ '--with-cc=%s' % os.environ['CC'], '--with-cxx=%s' % (os.environ['CXX'] if self.compiler.cxx is not None else '0'), '--with-mpi=0' ] if '+fortran' in self.spec: compiler_opts.append('--with-fc=%s' % os.environ['FC']) else: compiler_opts.append('--with-fc=0') else: compiler_opts = [ '--with-cc=%s' % self.spec['mpi'].mpicc, '--with-cxx=%s' % self.spec['mpi'].mpicxx, ] if '+fortran' in self.spec: compiler_opts.append('--with-fc=%s' % self.spec['mpi'].mpifc) else: compiler_opts.append('--with-fc=0') if self.spec.satisfies('%intel'): # mpiifort needs some help to automatically link # all necessary run-time libraries compiler_opts.append('--FC_LINKER_FLAGS=-lintlc') return compiler_opts def configure_options(self): spec = self.spec options = ['--with-ssl=0', '--download-c2html=0', '--download-sowing=0', '--download-hwloc=0'] # If 'cflags', 'fflags', and/or 'cxxflags' are not set, let the PETSc # configuration script choose defaults. if spec.compiler_flags['cflags']: options += [ 'CFLAGS=%s' % ' '.join(spec.compiler_flags['cflags'])] if '+debug' not in spec: options += ['COPTFLAGS='] if spec.compiler_flags['fflags']: options += [ 'FFLAGS=%s' % ' '.join(spec.compiler_flags['fflags'])] if '+debug' not in spec: options += ['FOPTFLAGS='] if spec.compiler_flags['cxxflags']: options += [ 'CXXFLAGS=%s' % ' '.join(spec.compiler_flags['cxxflags'])] if '+debug' not in spec: options += ['CXXOPTFLAGS='] options.extend(self.mpi_dependent_options()) options.extend([ '--with-precision=%s' % ( 'double' if '+double' in spec else 'single'), '--with-scalar-type=%s' % ( 'complex' if '+complex' in spec else 'real'), '--with-shared-libraries=%s' % ('1' if '+shared' in spec else '0'), '--with-debugging=%s' % ('1' if '+debug' in spec else '0'), '--with-openmp=%s' % ('1' if '+openmp' in spec else '0'), '--with-64-bit-indices=%s' % ('1' if '+int64' in spec else '0') ]) # Make sure we use exactly the same Blas/Lapack libraries # across the DAG. To that end list them explicitly lapack_blas = spec['lapack'].libs + spec['blas'].libs options.extend([ '--with-blas-lapack-lib=%s' % lapack_blas.joined() ]) if '+batch' in spec: options.append('--with-batch=1') if '+knl' in spec: options.append('--with-avx-512-kernels') options.append('--with-memalign=64') if '+X' in spec: options.append('--with-x=1') else: options.append('--with-x=0') if 'trilinos' in spec: if spec.satisfies('^trilinos+boost'): options.append('--with-boost=1') if spec.satisfies('clanguage=C++'): options.append('--with-clanguage=C++') else: options.append('--with-clanguage=C') # to be used in the list of libraries below if '+fortran' in spec: hdf5libs = ':hl,fortran' else: hdf5libs = ':hl' # tuple format (spacklibname, petsclibname, useinc, uselib) # default: 'gmp', => ('gmp', 'gmp', True, True) # any other combination needs a full tuple # if not (useinc || uselib): usedir - i.e (False, False) direct_dependencies = [] for dep in spec.dependencies(): direct_dependencies.append(dep.name) direct_dependencies.extend( set(vspec.name for vspec in dep.package.virtuals_provided)) for library in ( ('cuda', 'cuda', False, False), ('hip', 'hip', True, False), 'metis', 'hypre', 'parmetis', ('kokkos', 'kokkos', False, False), ('kokkos-kernels', 'kokkos-kernels', False, False), ('superlu-dist', 'superlu_dist', True, True), ('scotch', 'ptscotch', True, True), ('suite-sparse:umfpack,klu,cholmod,btf,ccolamd,colamd,camd,amd, \ suitesparseconfig,spqr', 'suitesparse', True, True), ('hdf5' + hdf5libs, 'hdf5', True, True), 'zlib', 'mumps', ('trilinos', 'trilinos', False, False), ('fftw:mpi', 'fftw', True, True), ('valgrind', 'valgrind', False, False), 'gmp', 'libpng', ('giflib', 'giflib', False, False), 'mpfr', ('netcdf-c', 'netcdf', True, True), ('parallel-netcdf', 'pnetcdf', True, True), ('moab', 'moab', False, False), ('random123', 'random123', False, False), 'exodusii', 'cgns', 'memkind', 'p4est', ('saws', 'saws', False, False), ('libyaml', 'yaml', True, True), 'hwloc', ('jpeg', 'libjpeg', True, True), ('scalapack', 'scalapack', False, True), 'strumpack', 'mmg', 'parmmg', ('tetgen', 'tetgen', False, False), ): # Cannot check `library in spec` because of transitive deps # Cannot check variants because parmetis keys on +metis if isinstance(library, tuple): spacklibname, petsclibname, useinc, uselib = library else: spacklibname = library petsclibname = library useinc = True uselib = True library_requested = spacklibname.split(':')[0] in direct_dependencies options.append( '--with-{library}={value}'.format( library=petsclibname, value=('1' if library_requested else '0')) ) if library_requested: if useinc or uselib: if useinc: options.append( '--with-{library}-include={value}'.format( library=petsclibname, value=spec[spacklibname].prefix.include) ) if uselib: options.append( '--with-{library}-lib={value}'.format( library=petsclibname, value=spec[spacklibname].libs.joined()) ) else: options.append( '--with-{library}-dir={path}'.format( library=petsclibname, path=spec[spacklibname].prefix) ) if '+cuda' in spec: if not spec.satisfies('cuda_arch=none'): cuda_arch = spec.variants['cuda_arch'].value if spec.satisfies('@3.14:'): options.append('--with-cuda-gencodearch={0}'.format(cuda_arch[0])) else: options.append('CUDAFLAGS=-gencode arch=compute_{0},code=sm_{0}' .format(cuda_arch[0])) if '+rocm' in spec: if not spec.satisfies('amdgpu_target=none'): hip_arch = spec.variants['amdgpu_target'].value options.append('--with-hip-arch={0}'.format(hip_arch[0])) hip_pkgs = ['hipsparse', 'hipblas', 'rocsparse', 'rocsolver', 'rocblas'] hip_ipkgs = hip_pkgs + ['rocthrust', 'rocprim'] hip_lpkgs = hip_pkgs if spec.satisfies('^rocrand@5.1:'): hip_ipkgs.extend(['rocrand']) else: hip_lpkgs.extend(['rocrand']) hip_inc = '' hip_lib = '' for pkg in hip_ipkgs: hip_inc += spec[pkg].headers.include_flags + ' ' for pkg in hip_lpkgs: hip_lib += spec[pkg].libs.joined() + ' ' options.append('HIPPPFLAGS=%s' % hip_inc) options.append('with-hip-lib=%s -L%s -lamdhip64' % (hip_lib, spec['hip'].prefix.lib)) if 'superlu-dist' in spec: if spec.satisfies('@3.10.3:3.15'): options.append('--with-cxx-dialect=C++11') if '+mkl-pardiso' in spec: options.append( '--with-mkl_pardiso-dir=%s' % spec['mkl'].prefix ) # For the moment, HPDDM does not work as a dependency # using download instead if '+hpddm' in spec: options.append('--download-hpddm') return options def revert_kokkos_nvcc_wrapper(self): # revert changes by kokkos-nvcc-wrapper if self.spec.satisfies('^kokkos+cuda+wrapper'): env['MPICH_CXX'] = env['CXX'] env['OMPI_CXX'] = env['CXX'] env['MPICXX_CXX'] = env['CXX'] def configure(self, spec, prefix): self.revert_kokkos_nvcc_wrapper() python('configure', '--prefix=%s' % prefix, *self.configure_options()) def build(self, spec, prefix): self.revert_kokkos_nvcc_wrapper() # PETSc has its own way of doing parallel make. make('V=1 MAKE_NP=%s' % make_jobs, parallel=False) def install(self, spec, prefix): self.revert_kokkos_nvcc_wrapper() make("install") if self.run_tests: make('check PETSC_ARCH="" PETSC_DIR={0}'.format(prefix), parallel=False) def setup_build_environment(self, env): # configure fails if these env vars are set outside of Spack env.unset('PETSC_DIR') env.unset('PETSC_ARCH') def setup_run_environment(self, env): # Set PETSC_DIR in the module file env.set('PETSC_DIR', self.prefix) env.unset('PETSC_ARCH') def setup_dependent_build_environment(self, env, dependent_spec): # Set up PETSC_DIR for everyone using PETSc package env.set('PETSC_DIR', self.prefix) env.unset('PETSC_ARCH') @property def archive_files(self): return [join_path(self.stage.source_path, 'configure.log'), join_path(self.stage.source_path, 'make.log')] @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. @run_after('install') def setup_build_tests(self): """Copy the build test files after the package is installed to an install test subdirectory for use during `spack test run`.""" if self.spec.satisfies('@3.13:'): self.cache_extra_test_sources('src/ksp/ksp/tutorials') self.cache_extra_test_sources('src/snes/tutorials') def test(self): # solve Poisson equation in 2D to make sure nothing is broken: spec = self.spec env['PETSC_DIR'] = self.prefix env['PETSC_ARCH'] = '' if ('+mpi' in spec): runexe = Executable(join_path(spec['mpi'].prefix.bin, 'mpiexec')).command runopt = ['-n', '4'] else: runexe = Executable(join_path(self.prefix, 'lib/petsc/bin/petsc-mpiexec.uni')).command runopt = ['-n', '1'] w_dir = join_path(self.install_test_root, 'src/ksp/ksp/tutorials') with working_dir(w_dir): testexe = ['ex50', '-da_grid_x', '4', '-da_grid_y', '4'] testdict = { None: [], '+superlu-dist': ['-pc_type', 'lu', '-pc_factor_mat_solver_type', 'superlu_dist'], '+mumps': ['-pc_type', 'lu', '-pc_factor_mat_solver_type', 'mumps'], '+hypre': ['-pc_type', 'hypre', '-pc_hypre_type', 'boomeramg'], '+mkl-pardiso': ['-pc_type', 'lu', '-pc_factor_mat_solver_type', 'mkl_pardiso'], } make('ex50', parallel=False) for feature, featureopt in testdict.items(): if not feature or feature in spec: self.run_test(runexe, runopt + testexe + featureopt) if '+cuda' in spec: make('ex7', parallel=False) testexe = ['ex7', '-mat_type', 'aijcusparse', '-sub_pc_factor_mat_solver_type', 'cusparse', '-sub_ksp_type', 'preonly', '-sub_pc_type', 'ilu', '-use_gpu_aware_mpi', '0'] self.run_test(runexe, runopt + testexe) make('clean', parallel=False) w_dir = join_path(self.install_test_root, 'src/snes/tutorials') with working_dir(w_dir): if '+kokkos' in spec: make('ex3k', parallel=False) testexe = ['ex3k', '-view_initial', '-dm_vec_type', 'kokkos', '-dm_mat_type', 'aijkokkos', '-use_gpu_aware_mpi', '0', '-snes_monitor'] self.run_test(runexe, runopt + testexe) make('clean', parallel=False)