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Merge pull request #1053 from davydden/pkg/dealii_suite_update

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update Petsc, Slepc, Trilinos, Superlu-dist and deal.II
This commit is contained in:
Todd Gamblin
2016-06-20 10:32:52 -07:00
committed by GitHub
parent 59318f4705 0e04e65ae0
commit c09111bbef
6 changed files with 133 additions and 93 deletions
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35
var/spack/repos/builtin/packages/dealii/package.py
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@@ -80,8 +80,8 @@ class Dealii(Package):
depends_on("netcdf-cxx", when='+netcdf+mpi')
depends_on("oce", when='+oce')
depends_on("p4est", when='+p4est+mpi')
depends_on("petsc+mpi", when='+petsc+mpi')
depends_on("slepc", when='+slepc+petsc+mpi')
depends_on("petsc@:3.6.4+mpi", when='+petsc+mpi') # FIXME: update after 3.7 is supported upstream. # NOQA: ignore=E501
depends_on("slepc@:3.6.3", when='+slepc+petsc+mpi')
depends_on("trilinos", when='+trilinos+mpi')
# developer dependnecies
@@ -108,12 +108,11 @@ def install(self, spec, prefix):
# of Spack's. Be more specific to avoid this.
# Note that both lapack and blas are provided in -DLAPACK_XYZ.
'-DLAPACK_FOUND=true',
'-DLAPACK_INCLUDE_DIRS=%s;%s' %
(spec['lapack'].prefix.include,
spec['blas'].prefix.include),
'-DLAPACK_LIBRARIES=%s;%s' %
(spec['lapack'].lapack_shared_lib,
spec['blas'].blas_shared_lib),
'-DLAPACK_INCLUDE_DIRS=%s;%s' % (
spec['lapack'].prefix.include, spec['blas'].prefix.include),
'-DLAPACK_LIBRARIES=%s;%s' % (
spec['lapack'].lapack_shared_lib,
spec['blas'].blas_shared_lib),
'-DMUPARSER_DIR=%s' % spec['muparser'].prefix,
'-DUMFPACK_DIR=%s' % spec['suite-sparse'].prefix,
'-DTBB_DIR=%s' % spec['tbb'].prefix,
@@ -168,14 +167,14 @@ def install(self, spec, prefix):
if '+netcdf' in spec:
options.extend([
'-DNETCDF_FOUND=true',
'-DNETCDF_LIBRARIES=%s;%s' %
(join_path(spec['netcdf-cxx'].prefix.lib,
'libnetcdf_c++.%s' % dsuf),
join_path(spec['netcdf'].prefix.lib,
'libnetcdf.%s' % dsuf)),
'-DNETCDF_INCLUDE_DIRS=%s;%s' %
(spec['netcdf-cxx'].prefix.include,
spec['netcdf'].prefix.include),
'-DNETCDF_LIBRARIES=%s;%s' % (
join_path(spec['netcdf-cxx'].prefix.lib,
'libnetcdf_c++.%s' % dsuf),
join_path(spec['netcdf'].prefix.lib,
'libnetcdf.%s' % dsuf)),
'-DNETCDF_INCLUDE_DIRS=%s;%s' % (
spec['netcdf-cxx'].prefix.include,
spec['netcdf'].prefix.include),
])
else:
options.extend([
@@ -266,9 +265,9 @@ def install(self, spec, prefix):
filter_file(r'(LA::SolverCG solver\(solver_control\);)', ('TrilinosWrappers::SolverDirect::AdditionalData data(false,"Amesos_Superludist"); TrilinosWrappers::SolverDirect solver(solver_control,data);'), 'step-40.cc') # NOQA: ignore=E501
filter_file(r'(LA::MPI::PreconditionAMG preconditioner;)',
(''), 'step-40.cc')
filter_file(r'(LA::MPI::PreconditionAMG::AdditionalData data;)',
filter_file(r'(LA::MPI::PreconditionAMG::AdditionalData data;)', # NOQA: ignore=E501
(''), 'step-40.cc')
filter_file(r'(preconditioner.initialize\(system_matrix, data\);)',
filter_file(r'(preconditioner.initialize\(system_matrix, data\);)', # NOQA: ignore=E501
(''), 'step-40.cc')
filter_file(r'(solver\.solve \(system_matrix, completely_distributed_solution, system_rhs,)', ('solver.solve (system_matrix, completely_distributed_solution, system_rhs);'), 'step-40.cc') # NOQA: ignore=E501
filter_file(r'(preconditioner\);)', (''), 'step-40.cc')

50
var/spack/repos/builtin/packages/petsc/package.py
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@@ -28,13 +28,16 @@
class Petsc(Package):
"""
PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications
modeled by partial differential equations.
PETSc is a suite of data structures and routines for the scalable
(parallel) solution of scientific applications modeled by partial
differential equations.
"""
homepage = "http://www.mcs.anl.gov/petsc/index.html"
url = "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-3.5.3.tar.gz"
version('3.7.2', '50da49867ce7a49e7a0c1b37f4ec7b34')
version('3.6.4', '7632da2375a3df35b8891c9526dbdde7')
version('3.6.3', '91dd3522de5a5ef039ff8f50800db606')
version('3.5.3', 'd4fd2734661e89f18ac6014b5dd1ef2f')
version('3.5.2', 'ad170802b3b058b5deb9cd1f968e7e13')
@@ -69,10 +72,12 @@ class Petsc(Package):
depends_on('hdf5+mpi', when='+hdf5+mpi')
depends_on('parmetis', when='+metis+mpi')
# 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
# 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 # NOQA: ignore=E501
depends_on('hypre~internal-superlu', when='+hypre+mpi~complex')
depends_on('superlu-dist', when='+superlu-dist+mpi')
depends_on('superlu-dist@:4.3', when='@:3.6.4+superlu-dist+mpi')
depends_on('superlu-dist@5.0.0:', when='@3.7:+superlu-dist+mpi')
depends_on('mumps+mpi', when='+mumps+mpi')
depends_on('scalapack', when='+mumps+mpi')
@@ -80,17 +85,17 @@ 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-fc=%s' % (os.environ['FC'] if self.compiler.fc is not None else '0'),
'--with-cxx=%s' % (os.environ['CXX'] if self.compiler.cxx is not None else '0'), # NOQA: ignore=E501
'--with-fc=%s' % (os.environ['FC'] if self.compiler.fc is not None else '0'), # NOQA: ignore=E501
'--with-mpi=0'
]
error_message_fmt = '\t{library} support requires "+mpi" to be activated'
error_message_fmt = '\t{library} support requires "+mpi" to be activated' # NOQA: ignore=E501
# If mpi is disabled (~mpi), it's an error to have any of these enabled.
# This generates a list of any such errors.
# If mpi is disabled (~mpi), it's an error to have any of these
# enabled. This generates a list of any such errors.
errors = [error_message_fmt.format(library=x)
for x in ('hdf5', 'hypre', 'parmetis','mumps','superlu-dist')
if ('+'+x) in self.spec]
for x in ('hdf5', 'hypre', 'parmetis', 'mumps', 'superlu-dist') # NOQA: ignore=E501
if ('+' + x) in self.spec]
if errors:
errors = ['incompatible variants given'] + errors
raise RuntimeError('\n'.join(errors))
@@ -105,26 +110,31 @@ def install(self, spec, prefix):
options = ['--with-ssl=0']
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-precision=%s' % ('double' if '+double' in spec else 'single'), # NOQA: ignore=E501
'--with-scalar-type=%s' % ('complex' if '+complex' in spec else 'real'), # NOQA: ignore=E501
'--with-shared-libraries=%s' % ('1' if '+shared' in spec else '0'),
'--with-debugging=%s' % ('1' if '+debug' in spec else '0'),
'--with-blas-lapack-dir=%s' % spec['lapack'].prefix
])
# Activates library support if needed
for library in ('metis', 'boost', 'hdf5', 'hypre', 'parmetis','mumps','scalapack'):
for library in ('metis', 'boost', 'hdf5', 'hypre', 'parmetis',
'mumps', 'scalapack'):
options.append(
'--with-{library}={value}'.format(library=library, value=('1' if library in spec else '0'))
'--with-{library}={value}'.format(library=library, value=('1' if library in spec else '0')) # NOQA: ignore=E501
)
if library in spec:
options.append(
'--with-{library}-dir={path}'.format(library=library, path=spec[library].prefix)
'--with-{library}-dir={path}'.format(library=library, path=spec[library].prefix) # NOQA: ignore=E501
)
# PETSc does not pick up SuperluDist from the dir as they look for superlu_dist_4.1.a
# PETSc does not pick up SuperluDist from the dir as they look for
# superlu_dist_4.1.a
if 'superlu-dist' in spec:
options.extend([
'--with-superlu_dist-include=%s' % spec['superlu-dist'].prefix.include,
'--with-superlu_dist-lib=%s' % join_path(spec['superlu-dist'].prefix.lib, 'libsuperlu_dist.a'),
'--with-superlu_dist-include=%s' %
spec['superlu-dist'].prefix.include,
'--with-superlu_dist-lib=%s' %
join_path(spec['superlu-dist'].prefix.lib,
'libsuperlu_dist.a'),
'--with-superlu_dist=1'
])
else:

13
var/spack/repos/builtin/packages/slepc/package.py
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@@ -34,13 +34,16 @@ class Slepc(Package):
homepage = "http://www.grycap.upv.es/slepc"
url = "http://slepc.upv.es/download/download.php?filename=slepc-3.6.2.tar.gz"
version('3.7.1', '670216f263e3074b21e0623c01bc0f562fdc0bffcd7bd42dd5d8edbe73a532c2')
version('3.6.3', '384939d009546db37bc05ed81260c8b5ba451093bf891391d32eb7109ccff876')
version('3.6.2', '2ab4311bed26ccf7771818665991b2ea3a9b15f97e29fd13911ab1293e8e65df')
variant('arpack', default=False, description='Enables Arpack wrappers')
variant('arpack', default=True, description='Enables Arpack wrappers')
depends_on('petsc')
depends_on('arpack-ng~mpi',when='+arpack^petsc~mpi')
depends_on('arpack-ng+mpi',when='+arpack^petsc+mpi')
depends_on('petsc@3.7:', when='@3.7.1:')
depends_on('petsc@3.6.3:3.6.4', when='@3.6.2:3.6.3')
depends_on('arpack-ng~mpi', when='+arpack^petsc~mpi')
depends_on('arpack-ng+mpi', when='+arpack^petsc+mpi')
def install(self, spec, prefix):
# set SLEPC_DIR for installation
@@ -64,7 +67,7 @@ def install(self, spec, prefix):
configure('--prefix=%s' % prefix, *options)
make('MAKE_NP=%s' % make_jobs, parallel=False)
#FIXME:
# FIXME:
# make('test')
make('install')

47
var/spack/repos/builtin/packages/superlu-dist/package.py
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@@ -25,50 +25,54 @@
from spack import *
import glob
class SuperluDist(Package):
"""A general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines."""
"""A general purpose library for the direct solution of large, sparse,
nonsymmetric systems of linear equations on high performance machines."""
homepage = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/"
url = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/superlu_dist_4.1.tar.gz"
version('5.0.0', '2b53baf1b0ddbd9fcf724992577f0670')
# default to version 4.3 since petsc and trilinos are not tested with 5.0.
version('4.3', 'ee66c84e37b4f7cc557771ccc3dc43ae', preferred=True)
version('4.3', 'ee66c84e37b4f7cc557771ccc3dc43ae')
version('4.2', 'ae9fafae161f775fbac6eba11e530a65')
version('4.1', '4edee38cc29f687bd0c8eb361096a455')
version('4.0', 'c0b98b611df227ae050bc1635c6940e0')
depends_on ('mpi')
depends_on ('blas')
depends_on ('lapack')
depends_on ('parmetis')
depends_on ('metis@5:')
depends_on('mpi')
depends_on('blas')
depends_on('lapack')
depends_on('parmetis')
depends_on('metis@5:')
def install(self, spec, prefix):
makefile_inc = []
makefile_inc.extend([
'PLAT = _mac_x',
'DSuperLUroot = %s' % self.stage.source_path, #self.stage.path, prefix
'DSuperLUroot = %s' % self.stage.source_path,
'DSUPERLULIB = $(DSuperLUroot)/lib/libsuperlu_dist.a',
'BLASDEF = -DUSE_VENDOR_BLAS',
'BLASLIB = -L%s -llapack %s -lblas' % (spec['lapack'].prefix.lib, spec['blas'].prefix.lib), # FIXME: avoid hardcoding blas/lapack lib names
'BLASLIB = %s %s' %
(to_link_flags(spec['lapack'].lapack_shared_lib),
to_link_flags(spec['blas'].blas_shared_lib)),
'METISLIB = -L%s -lmetis' % spec['metis'].prefix.lib,
'PARMETISLIB = -L%s -lparmetis' % spec['parmetis'].prefix.lib,
'FLIBS =',
'LIBS = $(DSUPERLULIB) $(BLASLIB) $(PARMETISLIB) $(METISLIB)',
'LIBS = $(DSUPERLULIB) $(BLASLIB) $(PARMETISLIB) $(METISLIB)', # NOQA: ignore=E501
'ARCH = ar',
'ARCHFLAGS = cr',
'RANLIB = true',
'CC = mpicc', # FIXME avoid hardcoding MPI compiler names
'CFLAGS = -fPIC -std=c99 -O2 -I%s -I%s' %(spec['parmetis'].prefix.include, spec['metis'].prefix.include),
'CC = %s' % spec['mpi'].mpicc,
'CFLAGS = -fPIC -std=c99 -O2 -I%s -I%s' %
(spec['parmetis'].prefix.include,
spec['metis'].prefix.include),
'NOOPTS = -fPIC -std=c99',
'FORTRAN = mpif77',
'FORTRAN = %s' % spec['mpi'].mpif77,
'F90FLAGS = -O2',
'LOADER = mpif77',
'LOADER = %s' % spec['mpi'].mpif77,
'LOADOPTS =',
'CDEFS = -DAdd_'
])
])
#with working_dir('src'):
with open('make.inc', 'w') as fh:
fh.write('\n'.join(makefile_inc))
@@ -83,9 +87,10 @@ def install(self, spec, prefix):
mkdirp(headers_location)
mkdirp(prefix.lib)
headers = glob.glob(join_path(self.stage.source_path, 'SRC','*.h'))
headers = glob.glob(join_path(self.stage.source_path, 'SRC', '*.h'))
for h in headers:
install(h,headers_location)
install(h, headers_location)
superludist_lib = join_path(self.stage.source_path, 'lib/libsuperlu_dist.a')
install(superludist_lib,self.prefix.lib)
superludist_lib = join_path(self.stage.source_path,
'lib/libsuperlu_dist.a')
install(superludist_lib, self.prefix.lib)

5
var/spack/repos/builtin/packages/trilinos/package.py
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@@ -45,6 +45,8 @@ class Trilinos(Package):
homepage = "https://trilinos.org/"
url = "http://trilinos.csbsju.edu/download/files/trilinos-12.2.1-Source.tar.gz"
version('12.6.3', '960f5f4d3f7c3da818e5a5fb4684559eff7e0c25f959ef576561b8a52f0e4d1e')
version('12.6.2', '0c076090508170ddee5efeed317745027f9418319720dc40a072e478775279f9')
version('12.6.1', 'adcf2d3aab74cdda98f88fee19cd1442604199b0515ee3da4d80cbe8f37d00e4')
version('12.4.2', '7c830f7f0f68b8ad324690603baf404e')
version('12.2.1', '6161926ea247863c690e927687f83be9')
@@ -89,7 +91,8 @@ class Trilinos(Package):
# 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('superlu-dist@:4.3', when='@:12.6.1+superlu-dist')
depends_on('superlu-dist', when='@12.6.2:+superlu-dist')
depends_on('hypre~internal-superlu', when='+hypre')
depends_on('hdf5+mpi', when='+hdf5')
depends_on('python', when='+python')