# Copyright 2013-2019 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) from spack import * import os import sys class Sundials(CMakePackage): """SUNDIALS (SUite of Nonlinear and DIfferential/ALgebraic equation Solvers)""" homepage = "https://computing.llnl.gov/projects/sundials" url = "https://computing.llnl.gov/projects/sundials/download/sundials-2.7.0.tar.gz" maintainers = ['cswoodward', 'gardner48', 'balos1'] # ========================================================================== # Versions # ========================================================================== version('4.1.0', sha256='280de1c27b2360170a6f46cb3799b2aee9dff3bddbafc8b08c291a47ab258aa5') version('4.0.1', sha256='29e409c8620e803990edbda1ebf49e03a38c08b9187b90658d86bddae913aed4') version('3.2.1', sha256='47d94d977ab2382cdcdd02f72a25ebd4ba8ca2634bbb2f191fe1636e71c86808') version('3.2.0', sha256='d2b690afecadf8b5a048bb27ab341de591d714605b98d3518985dfc2250e93f9') version('3.1.2', sha256='a8985bb1e851d90e24260450667b134bc13d71f5c6effc9e1d7183bd874fe116') version('3.1.1', sha256='a24d643d31ed1f31a25b102a1e1759508ce84b1e4739425ad0e18106ab471a24') version('3.1.0', sha256='18d52f8f329626f77b99b8bf91e05b7d16b49fde2483d3a0ea55496ce4cdd43a') version('3.0.0', sha256='28b8e07eecfdef66e2c0d0ea0cb1b91af6e4e94d71008abfe80c27bf39f63fde') version('2.7.0', sha256='d39fcac7175d701398e4eb209f7e92a5b30a78358d4a0c0fcc23db23c11ba104') version('2.6.2', sha256='d8ed0151509dd2b0f317b318a4175f8b95a174340fc3080b8c20617da8aa4d2f') # ========================================================================== # Variants # ========================================================================== # SUNDIALS solvers sun_solvers = ['CVODE', 'CVODES', 'ARKODE', 'IDA', 'IDAS', 'KINSOL'] for pkg in sun_solvers: variant(pkg, default=True, description='Enable %s solver' % pkg) # Real type variant( 'precision', default='double', description='real type precision', values=('single', 'double', 'extended'), multi=False ) # Index type variant('int64', default=False, description='Use 64bit integers for indices') # Parallelism variant('mpi', default=True, description='Enable MPI parallel vector') variant('openmp', default=False, description='Enable OpenMP parallel vector') variant('pthread', default=False, description='Enable Pthreads parallel vector') variant('cuda', default=False, description='Enable CUDA parallel vector') variant('raja', default=False, description='Enable RAJA parallel vector') # External libraries variant('lapack', default=False, description='Enable LAPACK direct solvers') variant('klu', default=False, description='Enable KLU sparse, direct solver') variant('superlu-mt', default=False, description='Enable SuperLU_MT sparse, direct solver') variant('hypre', default=False, description='Enable Hypre MPI parallel vector') variant('petsc', default=False, description='Enable PETSc MPI parallel vector') # Library type variant('shared', default=True, description='Build shared libraries') variant('static', default=True, description='Build static libraries') # Fortran interface variant('fcmix', default=False, description='Enable Fortran interface') # Examples variant('examples-c', default=True, description='Enable C examples') variant('examples-cxx', default=False, description='Enable C++ examples') variant('examples-f77', default=True, description='Enable Fortran 77 examples') variant('examples-f90', default=False, description='Enable Fortran 90 examples') variant('examples-cuda', default=False, description='Enable CUDA examples') variant('examples-raja', default=False, description='Enable RAJA examples') variant('examples-install', default=True, description='Install examples') # Generic (std-c) math libraries (UNIX only) variant('generic-math', default=True, description='Use generic (std-c) math libraries on unix systems') # ========================================================================== # Conflicts # ========================================================================== # Options added after v2.6.2 conflicts('+hypre', when='@:2.6.2') conflicts('+petsc', when='@:2.6.2') # Options added after v2.7.0 conflicts('+cuda', when='@:2.7.0') conflicts('+raja', when='@:2.7.0') conflicts('~int64', when='@:2.7.0') conflicts('+examples-cuda', when='@:2.7.0') conflicts('+examples-raja', when='@:2.7.0') # External libraries incompatible with 64-bit indices conflicts('+lapack', when='@3.0.0: +int64') conflicts('+hypre', when='+hypre@:2.6.1a +int64') # External libraries incompatible with single precision conflicts('+klu', when='precision=single') conflicts('+hypre', when='+hypre@:2.12.0 precision=single') # External libraries incompatible with extended (quad) precision conflicts('+lapack', when='precision=extended') conflicts('+superlu-mt', when='precision=extended') conflicts('+klu', when='precision=extended') conflicts('+hypre', when='+hypre@:2.12.0 precision=extended') # External libraries that need to be built with MPI conflicts('+hypre', when='~mpi') conflicts('+petsc', when='~mpi') # SuperLU_MT interface requires lapack for external blas (before v3.0.0) conflicts('+superlu-mt', when='@:2.7.0 ~lapack') # ========================================================================== # Dependencies # ========================================================================== # Build dependencies depends_on('cmake@2.8.1:', type='build') depends_on('cmake@2.8.12:', type='build', when='@3.1.2') depends_on('cmake@3.0.2:', type='build', when='@4.0.0-dev.1') depends_on('cmake@3.1.3:', type='build', when='@3.2.0,4.0.0-dev.2') # MPI related dependencies depends_on('mpi', when='+mpi') depends_on('mpi', when='+hypre') depends_on('mpi', when='+petsc') # Other parallelism dependencies depends_on('cuda', when='+cuda') depends_on('raja', when='+raja') # External libraries depends_on('blas', when='+lapack') depends_on('lapack', when='+lapack') depends_on('suite-sparse', when='+klu') # Require that external libraries built with the same precision depends_on('petsc~double~complex', when='+petsc precision=single') depends_on('petsc+double~complex', when='+petsc precision=double') # Require that external libraries built with the same index type depends_on('hypre', when='+hypre') depends_on('hypre~int64', when='+hypre ~int64') depends_on('hypre+int64', when='+hypre +int64') depends_on('petsc', when='+petsc') depends_on('petsc~int64', when='+petsc ~int64') depends_on('petsc+int64', when='+petsc +int64') # Require that PETSc is built with MPI depends_on('petsc+mpi', when='+petsc') # Require that SuperLU_MT built with external blas depends_on('superlu-mt+blas', when='+superlu-mt') # ========================================================================== # Patches # ========================================================================== # remove OpenMP header file and function from hypre vector test code patch('test_nvector_parhyp.patch', when='@2.7.0:3.0.0') # ========================================================================== # SUNDIALS Settings # ========================================================================== def cmake_args(self): spec = self.spec def on_off(varstr): return 'ON' if varstr in self.spec else 'OFF' fortran_flag = self.compiler.pic_flag if (spec.satisfies('%clang platform=darwin')) and ('+fcmix' in spec): f77 = Executable(self.compiler.f77) libgfortran = LibraryList(f77('--print-file-name', 'libgfortran.a', output=str)) fortran_flag += ' ' + libgfortran.ld_flags # List of CMake arguments # Note: CMAKE_INSTALL_PREFIX and CMAKE_BUILD_TYPE are set automatically args = [] # SUNDIALS solvers for pkg in self.sun_solvers: args.extend(['-DBUILD_%s=%s' % (pkg, on_off('+' + pkg))]) # precision args.extend([ '-DSUNDIALS_PRECISION=%s' % spec.variants['precision'].value ]) # index type (v3.0.0 or later) if spec.satisfies('@3.0.0:'): if '+int64' in spec: args.extend(['-DSUNDIALS_INDEX_TYPE=int64_t']) else: args.extend(['-DSUNDIALS_INDEX_TYPE=int32_t']) # Fortran interface args.extend(['-DFCMIX_ENABLE=%s' % on_off('+fcmix')]) # library type args.extend([ '-DBUILD_SHARED_LIBS=%s' % on_off('+shared'), '-DBUILD_STATIC_LIBS=%s' % on_off('+static') ]) # generic (std-c) math libraries args.extend([ '-DUSE_GENERIC_MATH=%s' % on_off('+generic-math') ]) # parallelism args.extend([ '-DMPI_ENABLE=%s' % on_off('+mpi'), '-DOPENMP_ENABLE=%s' % on_off('+openmp'), '-DPTHREAD_ENABLE=%s' % on_off('+pthread'), '-DCUDA_ENABLE=%s' % on_off('+cuda'), '-DRAJA_ENABLE=%s' % on_off('+raja') ]) # MPI support if '+mpi' in spec: args.extend(['-DMPI_MPICC=%s' % spec['mpi'].mpicc]) if 'examples-cxx' in spec: args.extend(['-DMPI_MPICXX=%s' % spec['mpi'].mpicxx]) if ('+fcmix' in spec) and ('+examples-f77' in spec): args.extend(['-DMPI_MPIF77=%s' % spec['mpi'].mpif77]) if ('+fcmix' in spec) and ('+examples-f90' in spec): args.extend(['-DMPI_MPIF90=%s' % spec['mpi'].mpifc]) # Building with LAPACK and BLAS if '+lapack' in spec: args.extend([ '-DLAPACK_ENABLE=ON', '-DLAPACK_LIBRARIES=%s' % (spec['lapack'].libs + spec['blas'].libs).joined(';') ]) # Building with KLU if '+klu' in spec: args.extend([ '-DKLU_ENABLE=ON', '-DKLU_INCLUDE_DIR=%s' % spec['suite-sparse'].prefix.include, '-DKLU_LIBRARY_DIR=%s' % spec['suite-sparse'].prefix.lib ]) # Building with SuperLU_MT if '+superlu-mt' in spec: if spec.satisfies('@3.0.0:'): args.extend([ '-DBLAS_ENABLE=ON', '-DBLAS_LIBRARIES=%s' % spec['blas'].libs ]) args.extend([ '-DSUPERLUMT_ENABLE=ON', '-DSUPERLUMT_INCLUDE_DIR=%s' % spec['superlu-mt'].prefix.include, '-DSUPERLUMT_LIBRARY_DIR=%s' % spec['superlu-mt'].prefix.lib ]) if spec.satisfies('^superlu-mt+openmp'): args.append('-DSUPERLUMT_THREAD_TYPE=OpenMP') else: args.append('-DSUPERLUMT_THREAD_TYPE=Pthread') # Building with Hypre if '+hypre' in spec: args.extend([ '-DHYPRE_ENABLE=ON', '-DHYPRE_INCLUDE_DIR=%s' % spec['hypre'].prefix.include, '-DHYPRE_LIBRARY_DIR=%s' % spec['hypre'].prefix.lib ]) # Building with PETSc if '+petsc' in spec: args.extend([ '-DPETSC_ENABLE=ON', '-DPETSC_INCLUDE_DIR=%s' % spec['petsc'].prefix.include, '-DPETSC_LIBRARY_DIR=%s' % spec['petsc'].prefix.lib ]) # Building with RAJA if '+raja' in spec: args.extend([ '-DRAJA_DIR=%s' % spec['raja'].prefix.share.raja.cmake ]) # Examples if spec.satisfies('@3.0.0:'): args.extend([ '-DEXAMPLES_ENABLE_C=%s' % on_off('+examples-c'), '-DEXAMPLES_ENABLE_CXX=%s' % on_off('+examples-cxx'), '-DEXAMPLES_ENABLE_F77=%s' % on_off('+examples-f77'), '-DEXAMPLES_ENABLE_F90=%s' % on_off('+examples-f90'), '-DEXAMPLES_ENABLE_CUDA=%s' % on_off('+examples-cuda'), '-DEXAMPLES_ENABLE_RAJA=%s' % on_off('+examples-raja') ]) else: args.extend([ '-DEXAMPLES_ENABLE=%s' % on_off('+examples-c'), '-DCXX_ENABLE=%s' % on_off('+examples-cxx'), '-DF90_ENABLE=%s' % on_off('+examples-f90') ]) args.extend([ '-DEXAMPLES_INSTALL=%s' % on_off('+examples-install') ]) return args # ========================================================================== # Post Install Actions # ========================================================================== @run_after('install') def post_install(self): """Run after install to fix install name of dynamic libraries on Darwin to have full path and install the LICENSE file.""" spec = self.spec prefix = self.spec.prefix if (sys.platform == 'darwin'): fix_darwin_install_name(prefix.lib) 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_serial/Makefile', 'cvode/C_openmp/Makefile', 'cvode/parallel/Makefile', 'cvode/parhyp/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', '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' ] 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) @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