diff options
3 files changed, 225 insertions, 11 deletions
diff --git a/var/spack/repos/builtin/packages/suite-sparse/package.py b/var/spack/repos/builtin/packages/suite-sparse/package.py index b57f9967c3..c2196dcec4 100644 --- a/var/spack/repos/builtin/packages/suite-sparse/package.py +++ b/var/spack/repos/builtin/packages/suite-sparse/package.py @@ -23,4 +23,14 @@ class SuiteSparse(Package): # FIXME : this actually uses the current workaround # FIXME : (blas / lapack always provide libblas and liblapack as aliases) - make('install', 'INSTALL=%s' % prefix, 'BLAS=-lblas', 'LAPACK=-llapack') + make('install', 'INSTALL=%s' % prefix, + + # inject Spack compiler wrappers + 'AUTOCC=no', + 'CC=cc', + 'CXX=c++', + 'F77=f77', + + # BLAS arguments require path to libraries + 'BLAS=-lblas', + 'LAPACK=-llapack') diff --git a/var/spack/repos/builtin/packages/trilinos/package.py b/var/spack/repos/builtin/packages/trilinos/package.py index edc40476e3..6223848c68 100644 --- a/var/spack/repos/builtin/packages/trilinos/package.py +++ b/var/spack/repos/builtin/packages/trilinos/package.py @@ -1,15 +1,22 @@ from spack import * +import os, sys, glob - +# Trilinos is complicated to build, as an inspiration a couple of links to other repositories which build it: +# https://github.com/hpcugent/easybuild-easyblocks/blob/master/easybuild/easyblocks/t/trilinos.py#L111 +# https://github.com/koecher/candi/blob/master/deal.II-toolchain/packages/trilinos.package +# https://gitlab.com/configurations/cluster-config/blob/master/trilinos.sh +# https://github.com/Homebrew/homebrew-science/blob/master/trilinos.rb +# and some relevant documentation/examples: +# https://github.com/trilinos/Trilinos/issues/175 class Trilinos(Package): - """ - The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented + """The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. A unique design feature of Trilinos is its focus on packages. """ homepage = "https://trilinos.org/" url = "http://trilinos.csbsju.edu/download/files/trilinos-12.2.1-Source.tar.gz" + version('12.6.1', 'adcf2d3aab74cdda98f88fee19cd1442604199b0515ee3da4d80cbe8f37d00e4') version('12.4.2', '7c830f7f0f68b8ad324690603baf404e') version('12.2.1', '6161926ea247863c690e927687f83be9') version('12.0.1', 'bd99741d047471e127b8296b2ec08017') @@ -17,8 +24,16 @@ class Trilinos(Package): version('11.14.2', 'a43590cf896c677890d75bfe75bc6254') version('11.14.1', '40febc57f76668be8b6a77b7607bb67f') - variant('shared', default=True, description='Enables the build of shared libraries') - variant('debug', default=False, description='Builds a debug version of the libraries') + variant('metis', default=True, description='Compile with METIS and ParMETIS') + variant('mumps', default=True, description='Compile with support for MUMPS solvers') + variant('superlu-dist', default=True, description='Compile with SuperluDist solvers') + variant('hypre', default=True, description='Compile with Hypre preconditioner') + variant('hdf5', default=True, description='Compile with HDF5') + variant('suite-sparse', default=True, description='Compile with SuiteSparse solvers') + # not everyone has py-numpy activated, keep it disabled by default to avoid configure errors + variant('python', default=False, description='Build python wrappers') + variant('shared', default=True, description='Enables the build of shared libraries') + variant('debug', default=False, description='Builds a debug version of the libraries') # Everything should be compiled with -fpic depends_on('blas') @@ -27,28 +42,205 @@ class Trilinos(Package): depends_on('matio') depends_on('glm') depends_on('swig') + depends_on('metis',when='+metis') + depends_on('suite-sparse',when='+suite-sparse') # MPI related dependencies depends_on('mpi') depends_on('netcdf+mpi') + depends_on('parmetis',when='+metis') + # Trilinos' Tribits config system is limited which makes it + # very tricky to link Amesos with static MUMPS, see + # https://trilinos.org/docs/dev/packages/amesos2/doc/html/classAmesos2_1_1MUMPS.html + # One could work it out by getting linking flags from mpif90 --showme:link (or alike) + # and adding results to -DTrilinos_EXTRA_LINK_FLAGS + # together with Blas and Lapack and ScaLAPACK and Blacs and -lgfortran and + # it may work at the end. But let's avoid all this by simply using shared libs + depends_on('mumps@5.0:+mpi+shared',when='+mumps') + depends_on('scalapack',when='+mumps') + depends_on('superlu-dist',when='+superlu-dist') + depends_on('hypre~internal-superlu',when='+hypre') + depends_on('hdf5+mpi',when='+hdf5') + + depends_on('python',when='+python') - depends_on('python') # Needs py-numpy activated + patch('umfpack_from_suitesparse.patch') + + # check that the combination of variants makes sense + def variants_check(self): + if '+superlu-dist' in self.spec and self.spec.satisfies('@:11.4.3'): + # For Trilinos v11 we need to force SuperLUDist=OFF, + # since only the deprecated SuperLUDist v3.3 together with an Amesos patch + # is working. + raise RuntimeError('The superlu-dist variant can only be used with Trilinos @12.0.1:') def install(self, spec, prefix): + self.variants_check() + + cxx_flags = [] options = [] options.extend(std_cmake_args) + mpi_bin = spec['mpi'].prefix.bin options.extend(['-DTrilinos_ENABLE_ALL_PACKAGES:BOOL=ON', + '-DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES:BOOL=ON', + '-DTrilinos_VERBOSE_CONFIGURE:BOOL=OFF', '-DTrilinos_ENABLE_TESTS:BOOL=OFF', '-DTrilinos_ENABLE_EXAMPLES:BOOL=OFF', - '-DCMAKE_BUILD_TYPE:STRING=%s' % ('Debug' if '+debug' in spec else 'Release'), + '-DCMAKE_BUILD_TYPE:STRING=%s' % ('DEBUG' if '+debug' in spec else 'RELEASE'), '-DBUILD_SHARED_LIBS:BOOL=%s' % ('ON' if '+shared' in spec else 'OFF'), - '-DTPL_ENABLE_MPI:STRING=ON', - '-DBLAS_LIBRARY_DIRS:PATH=%s' % spec['blas'].prefix, - '-DLAPACK_LIBRARY_DIRS:PATH=%s' % spec['lapack'].prefix + '-DTPL_ENABLE_MPI:BOOL=ON', + '-DMPI_BASE_DIR:PATH=%s' % spec['mpi'].prefix, + '-DTPL_ENABLE_BLAS=ON', + '-DBLAS_LIBRARY_NAMES=blas', # FIXME: don't hardcode names + '-DBLAS_LIBRARY_DIRS=%s' % spec['blas'].prefix.lib, + '-DTPL_ENABLE_LAPACK=ON', + '-DLAPACK_LIBRARY_NAMES=lapack', + '-DLAPACK_LIBRARY_DIRS=%s' % spec['lapack'].prefix, + '-DTPL_ENABLE_Boost:BOOL=ON', + '-DBoost_INCLUDE_DIRS:PATH=%s' % spec['boost'].prefix.include, + '-DBoost_LIBRARY_DIRS:PATH=%s' % spec['boost'].prefix.lib, + '-DTrilinos_ENABLE_EXPLICIT_INSTANTIATION:BOOL=ON', + '-DTrilinos_ENABLE_CXX11:BOOL=ON', + '-DTPL_ENABLE_Netcdf:BOOL=ON', + '-DTPL_ENABLE_HYPRE:BOOL=%s' % ('ON' if '+hypre' in spec else 'OFF'), + '-DTPL_ENABLE_HDF5:BOOL=%s' % ('ON' if '+hdf5' in spec else 'OFF'), ]) + # Fortran lib + libgfortran = os.path.dirname (os.popen('%s --print-file-name libgfortran.a' % join_path(mpi_bin,'mpif90') ).read()) + options.extend([ + '-DTrilinos_EXTRA_LINK_FLAGS:STRING=-L%s/ -lgfortran' % libgfortran, + '-DTrilinos_ENABLE_Fortran=ON' + ]) + + # for build-debug only: + #options.extend([ + # '-DCMAKE_VERBOSE_MAKEFILE:BOOL=TRUE' + #]) + + # suite-sparse related + if '+suite-sparse' in spec: + options.extend([ + '-DTPL_ENABLE_Cholmod:BOOL=OFF', # FIXME: Trilinos seems to be looking for static libs only, patch CMake TPL file? + #'-DTPL_ENABLE_Cholmod:BOOL=ON', + #'-DCholmod_LIBRARY_DIRS:PATH=%s' % spec['suite-sparse'].prefix.lib, + #'-DCholmod_INCLUDE_DIRS:PATH=%s' % spec['suite-sparse'].prefix.include, + '-DTPL_ENABLE_UMFPACK:BOOL=ON', + '-DUMFPACK_LIBRARY_DIRS:PATH=%s' % spec['suite-sparse'].prefix.lib, + '-DUMFPACK_INCLUDE_DIRS:PATH=%s' % spec['suite-sparse'].prefix.include, + '-DUMFPACK_LIBRARY_NAMES=umfpack;amd;colamd;cholmod;suitesparseconfig' + ]) + else: + options.extend([ + '-DTPL_ENABLE_Cholmod:BOOL=OFF', + '-DTPL_ENABLE_UMFPACK:BOOL=OFF', + ]) + + # metis / parmetis + if '+metis' in spec: + options.extend([ + '-DTPL_ENABLE_METIS:BOOL=ON', + '-DMETIS_LIBRARY_DIRS=%s' % spec['metis'].prefix.lib, + '-DMETIS_LIBRARY_NAMES=metis', + '-DTPL_METIS_INCLUDE_DIRS=%s' % spec['metis'].prefix.include, + '-DTPL_ENABLE_ParMETIS:BOOL=ON', + '-DParMETIS_LIBRARY_DIRS=%s;%s' % (spec['parmetis'].prefix.lib,spec['metis'].prefix.lib), + '-DParMETIS_LIBRARY_NAMES=parmetis;metis', + '-DTPL_ParMETIS_INCLUDE_DIRS=%s' % spec['parmetis'].prefix.include + ]) + else: + options.extend([ + '-DTPL_ENABLE_METIS:BOOL=OFF', + '-DTPL_ENABLE_ParMETIS:BOOL=OFF', + ]) + + # mumps / scalapack + if '+mumps' in spec: + options.extend([ + '-DTPL_ENABLE_MUMPS:BOOL=ON', + '-DMUMPS_LIBRARY_DIRS=%s' % spec['mumps'].prefix.lib, + '-DMUMPS_LIBRARY_NAMES=dmumps;mumps_common;pord', # order is important! + '-DTPL_ENABLE_SCALAPACK:BOOL=ON', + '-DSCALAPACK_LIBRARY_NAMES=scalapack' # FIXME: for MKL it's mkl_scalapack_lp64;mkl_blacs_mpich_lp64 + ]) + # see https://github.com/trilinos/Trilinos/blob/master/packages/amesos/README-MUMPS + cxx_flags.extend([ + '-DMUMPS_5_0' + ]) + else: + options.extend([ + '-DTPL_ENABLE_MUMPS:BOOL=OFF', + '-DTPL_ENABLE_SCALAPACK:BOOL=OFF', + ]) + + # superlu-dist: + if '+superlu-dist' in spec: + # Amesos, conflicting types of double and complex SLU_D + # see https://trilinos.org/pipermail/trilinos-users/2015-March/004731.html + # and https://trilinos.org/pipermail/trilinos-users/2015-March/004802.html + options.extend([ + '-DTeuchos_ENABLE_COMPLEX:BOOL=OFF', + '-DKokkosTSQR_ENABLE_Complex:BOOL=OFF' + ]) + options.extend([ + '-DTPL_ENABLE_SuperLUDist:BOOL=ON', + '-DSuperLUDist_LIBRARY_DIRS=%s' % spec['superlu-dist'].prefix.lib, + '-DSuperLUDist_INCLUDE_DIRS=%s' % spec['superlu-dist'].prefix.include + ]) + if spec.satisfies('^superlu-dist@4.0:'): + options.extend([ + '-DHAVE_SUPERLUDIST_LUSTRUCTINIT_2ARG:BOOL=ON' + ]) + else: + options.extend([ + '-DTPL_ENABLE_SuperLUDist:BOOL=OFF', + ]) + + + # python + if '+python' in spec: + options.extend([ + '-DTrilinos_ENABLE_PyTrilinos:BOOL=ON' + ]) + else: + options.extend([ + '-DTrilinos_ENABLE_PyTrilinos:BOOL=OFF' + ]) + + # collect CXX flags: + options.extend([ + '-DCMAKE_CXX_FLAGS:STRING=%s' % (' '.join(cxx_flags)), + ]) + + # disable due to compiler / config errors: + options.extend([ + '-DTrilinos_ENABLE_SEACAS=OFF', + '-DTrilinos_ENABLE_Pike=OFF', + '-DTrilinos_ENABLE_STK=OFF' + ]) + if sys.platform == 'darwin': + options.extend([ + '-DTrilinos_ENABLE_FEI=OFF' + ]) + + with working_dir('spack-build', create=True): cmake('..', *options) make() make('install') + + # When trilinos is built with Python, libpytrilinos is included through + # cmake configure files. Namely, Trilinos_LIBRARIES in TrilinosConfig.cmake + # contains pytrilinos. This leads to a run-time error: + # Symbol not found: _PyBool_Type + # and prevents Trilinos to be used in any C++ code, which links executable + # against the libraries listed in Trilinos_LIBRARIES. + # See https://github.com/Homebrew/homebrew-science/issues/2148#issuecomment-103614509 + # A workaround it to remove PyTrilinos from the COMPONENTS_LIST : + if '+python' in self.spec: + filter_file(r'(SET\(COMPONENTS_LIST.*)(PyTrilinos;)(.*)', (r'\1\3'), '%s/cmake/Trilinos/TrilinosConfig.cmake' % prefix.lib) + + # The shared libraries are not installed correctly on Darwin; correct this + if (sys.platform == 'darwin') and ('+shared' in spec): + fix_darwin_install_name(prefix.lib) diff --git a/var/spack/repos/builtin/packages/trilinos/umfpack_from_suitesparse.patch b/var/spack/repos/builtin/packages/trilinos/umfpack_from_suitesparse.patch new file mode 100644 index 0000000000..9defc55527 --- /dev/null +++ b/var/spack/repos/builtin/packages/trilinos/umfpack_from_suitesparse.patch @@ -0,0 +1,12 @@ +diff --git a/cmake/TPLs/FindTPLUMFPACK.cmake b/cmake/TPLs/FindTPLUMFPACK.cmake +index 963eb71..998cd02 100644 +--- a/cmake/TPLs/FindTPLUMFPACK.cmake ++++ b/cmake/TPLs/FindTPLUMFPACK.cmake +@@ -55,6 +55,6 @@ + + + TRIBITS_TPL_FIND_INCLUDE_DIRS_AND_LIBRARIES( UMFPACK +- REQUIRED_HEADERS umfpack.h amd.h UFconfig.h ++ REQUIRED_HEADERS umfpack.h amd.h SuiteSparse_config.h + REQUIRED_LIBS_NAMES umfpack amd + ) |