Reworking of lapack_shared_libs and similar properties (#1682)

* Turned <provider>_libs into an iterable

Modifications :
- added class LibraryList + unit tests
- added convenience functions `find_libraries` and `dedupe`
- modifed non Intel blas/lapack providers
- modified packages using blas_shared_libs and similar functions

* atlas : added pthread variant

* intel packages : added lapack_libs and blas_libs

* find_library_path : removed unused function

* PR review : fixed last issues

* LibraryList : added test on __add__ return type

* LibraryList : added __radd__ fixed unit tests

fix : failing unit tests due to missing `self`

* cp2k and dependecies : fixed blas-lapack related statements in package.py
This commit is contained in:
Massimiliano Culpo
2016-09-21 21:27:59 +02:00
committed by Todd Gamblin
parent 6b6f868f2a
commit d848559f70
33 changed files with 526 additions and 244 deletions

View File

@@ -46,18 +46,20 @@ class Armadillo(Package):
depends_on('hdf5', when='+hdf5')
def install(self, spec, prefix):
arpack = find_libraries(['libarpack'], root=spec[
'arpack-ng'].prefix.lib, shared=True)
superlu = find_libraries(['libsuperlu'], root=spec[
'superlu'].prefix, shared=False, recurse=True)
cmake_args = [
# ARPACK support
'-DARPACK_LIBRARY={0}/libarpack.{1}'.format(
spec['arpack-ng'].prefix.lib, dso_suffix),
'-DARPACK_LIBRARY={0}'.format(arpack.joined()),
# BLAS support
'-DBLAS_LIBRARY={0}'.format(spec['blas'].blas_shared_lib),
'-DBLAS_LIBRARY={0}'.format(spec['blas'].blas_libs.joined()),
# LAPACK support
'-DLAPACK_LIBRARY={0}'.format(spec['lapack'].lapack_shared_lib),
'-DLAPACK_LIBRARY={0}'.format(spec['lapack'].lapack_libs.joined()),
# SuperLU support
'-DSuperLU_INCLUDE_DIR={0}'.format(spec['superlu'].prefix.include),
'-DSuperLU_LIBRARY={0}/libsuperlu.a'.format(
spec['superlu'].prefix.lib64),
'-DSuperLU_LIBRARY={0}'.format(superlu.joined()),
# HDF5 support
'-DDETECT_HDF5={0}'.format('ON' if '+hdf5' in spec else 'OFF')
]

View File

@@ -88,17 +88,16 @@ def install(self, spec, prefix):
options.append('-DCMAKE_INSTALL_NAME_DIR:PATH=%s/lib' % prefix)
# Make sure we use Spack's blas/lapack:
lapack_libs = spec['lapack'].lapack_libs.joined()
blas_libs = spec['blas'].blas_libs.joined()
options.extend([
'-DLAPACK_FOUND=true',
'-DLAPACK_INCLUDE_DIRS=%s' % spec['lapack'].prefix.include,
'-DLAPACK_LIBRARIES=%s' % (
spec['lapack'].lapack_shared_lib if '+shared' in spec else
spec['lapack'].lapack_static_lib),
'-DLAPACK_INCLUDE_DIRS={0}'.format(spec['lapack'].prefix.include),
'-DLAPACK_LIBRARIES={0}'.format(lapack_libs),
'-DBLAS_FOUND=true',
'-DBLAS_INCLUDE_DIRS=%s' % spec['blas'].prefix.include,
'-DBLAS_LIBRARIES=%s' % (
spec['blas'].blas_shared_lib if '+shared' in spec else
spec['blas'].blas_static_lib)
'-DBLAS_INCLUDE_DIRS={0}'.format(spec['blas'].prefix.include),
'-DBLAS_LIBRARIES={0}'.format(blas_libs)
])
if '+mpi' in spec:
@@ -129,19 +128,12 @@ def install(self, spec, prefix):
'F77=%s' % spec['mpi'].mpif77
])
if '+shared' in spec:
options.extend([
'--with-blas=%s' % to_link_flags(
spec['blas'].blas_shared_lib),
'--with-lapack=%s' % to_link_flags(
spec['lapack'].lapack_shared_lib)
])
else:
options.extend([
'--with-blas=%s' % spec['blas'].blas_static_lib,
'--with-lapack=%s' % spec['lapack'].lapack_static_lib,
'--enable-shared=no'
])
options.extend([
'--with-blas={0}'.format(spec['blas'].blas_libs.ld_flags),
'--with-lapack={0}'.format(spec['lapack'].lapack_libs.ld_flags)
])
if '+shared' not in spec:
options.append('--enable-shared=no')
bootstrap()
configure(*options)

View File

@@ -51,6 +51,7 @@ class Atlas(Package):
url='http://sourceforge.net/projects/math-atlas/files/Developer%20%28unstable%29/3.11.34/atlas3.11.34.tar.bz2')
variant('shared', default=True, description='Builds shared library')
variant('pthread', default=False, description='Use multithreaded libraries')
provides('blas')
provides('lapack')
@@ -107,18 +108,32 @@ def install(self, spec, prefix):
make("install")
self.install_test()
def setup_dependent_package(self, module, dspec):
@property
def blas_libs(self):
# libsatlas.[so,dylib,dll ] contains all serial APIs (serial lapack,
# serial BLAS), and all ATLAS symbols needed to support them. Whereas
# libtatlas.[so,dylib,dll ] is parallel (multithreaded) version.
name = 'libsatlas.%s' % dso_suffix
libdir = find_library_path(name,
self.prefix.lib64,
self.prefix.lib)
is_threaded = '+pthread' in self.spec
if '+shared' in self.spec:
self.spec.blas_shared_lib = join_path(libdir, name)
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
to_find = ['libtatlas'] if is_threaded else ['libsatlas']
shared = True
else:
interfaces = [
'libptcblas',
'libptf77blas'
] if is_threaded else [
'libcblas',
'libf77blas'
]
to_find = ['liblapack'] + interfaces + ['libatlas']
shared = False
return find_libraries(
to_find, root=self.prefix, shared=shared, recurse=True
)
@property
def lapack_libs(self):
return self.blas_libs
def install_test(self):
source_file = join_path(os.path.dirname(self.module.__file__),
@@ -126,9 +141,8 @@ def install_test(self):
blessed_file = join_path(os.path.dirname(self.module.__file__),
'test_cblas_dgemm.output')
include_flags = ["-I%s" % join_path(self.spec.prefix, "include")]
link_flags = ["-L%s" % join_path(self.spec.prefix, "lib"),
"-lsatlas"]
include_flags = ["-I%s" % self.spec.prefix.include]
link_flags = self.lapack_libs.ld_flags
output = compile_c_and_execute(source_file, include_flags, link_flags)
compare_output_file(output, blessed_file)

View File

@@ -95,7 +95,8 @@ def install(self, spec, prefix):
fcflags.extend([
'-I' + spec['fftw'].prefix.include
])
ldflags = ['-L' + spec['fftw'].prefix.lib]
fftw = find_libraries(['libfftw3'], root=spec['fftw'].prefix.lib)
ldflags = [fftw.search_flags]
libs = []
if '+plumed' in self.spec:
# Include Plumed.inc in the Makefile
@@ -157,9 +158,8 @@ def install(self, spec, prefix):
),
'-I' + join_path(spec['pexsi'].prefix, 'fortran')
])
ldflags.extend([
'-L' + spec['scalapack'].prefix.lib
])
scalapack = spec['scalapack'].scalapack_libs
ldflags.append(scalapack.search_flags)
libs.extend([
join_path(spec['elpa'].prefix.lib,
'libelpa.{0}'.format(dso_suffix)),
@@ -176,20 +176,15 @@ def install(self, spec, prefix):
'libmetis.{0}'.format(dso_suffix)
),
])
libs.extend(spec['scalapack'].scalapack_shared_libs)
libs.extend(scalapack)
libs.extend(self.spec['mpi'].mpicxx_shared_libs)
libs.extend(self.compiler.stdcxx_libs)
# LAPACK / BLAS
ldflags.extend([
'-L' + spec['lapack'].prefix.lib,
'-L' + spec['blas'].prefix.lib
])
libs.extend([
join_path(spec['fftw'].prefix.lib,
'libfftw3.{0}'.format(dso_suffix)),
spec['lapack'].lapack_shared_lib,
spec['blas'].blas_shared_lib
])
lapack = spec['lapack'].lapack_libs
blas = spec['blas'].blas_libs
ldflags.append((lapack + blas).search_flags)
libs.extend([str(x) for x in (fftw, lapack, blas)])
# Write compiler flags to file
mkf.write('CPPFLAGS = {0}\n'.format(' '.join(cppflags)))

View File

@@ -123,6 +123,7 @@ def install(self, spec, prefix):
options.remove(word)
dsuf = 'dylib' if sys.platform == 'darwin' else 'so'
lapack_blas = spec['lapack'].lapack_libs + spec['blas'].blas_libs
options.extend([
'-DCMAKE_BUILD_TYPE=DebugRelease',
'-DDEAL_II_COMPONENT_EXAMPLES=ON',
@@ -135,9 +136,7 @@ def install(self, spec, prefix):
'-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_LIBRARIES=%s' % lapack_blas.joined(';'),
'-DMUPARSER_DIR=%s' % spec['muparser'].prefix,
'-DUMFPACK_DIR=%s' % spec['suite-sparse'].prefix,
'-DTBB_DIR=%s' % spec['tbb'].prefix,

View File

@@ -87,12 +87,12 @@ def configure(self, spec):
# BLAS/LAPACK support
# Note: BLAS/LAPACK must be compiled with OpenMP support
# if the +openmp variant is chosen
blas = 'blas.a'
blas = 'blas.a'
lapack = 'lapack.a'
if '+blas' in spec:
blas = spec['blas'].blas_shared_lib
blas = spec['blas'].blas_libs.joined()
if '+lapack' in spec:
lapack = spec['lapack'].lapack_shared_lib
lapack = spec['lapack'].lapack_libs.joined()
# lapack must come before blas
config['LIB_LPK'] = ' '.join([lapack, blas])

View File

@@ -87,9 +87,9 @@ def install(self, spec, prefix):
options.append('-DENABLE_OS_SPECIFIC_INSTALL=OFF')
# Make sure GMSH picks up correct BlasLapack by providing linker flags
options.append('-DBLAS_LAPACK_LIBRARIES=%s %s' %
(to_link_flags(spec['lapack'].lapack_shared_lib),
to_link_flags(spec['blas'].blas_shared_lib)))
blas_lapack = spec['lapack'].lapack_libs + spec['blas'].blas_libs
options.append(
'-DBLAS_LAPACK_LIBRARIES={0}'.format(blas_lapack.ld_flags))
# Gmsh does not have an option to compile against external metis.
# Its own Metis, however, fails to build

View File

@@ -78,7 +78,7 @@ def configure(self, spec, arch):
'MPlib = -L{0}'.format(spec['mpi'].prefix.lib),
# Linear Algebra library (BLAS or VSIPL)
'LAinc = {0}'.format(spec['blas'].prefix.include),
'LAlib = {0}'.format(spec['blas'].blas_shared_lib),
'LAlib = {0}'.format(spec['blas'].blas_libs.joined()),
# F77 / C interface
'F2CDEFS = -DAdd_ -DF77_INTEGER=int -DStringSunStyle',
# HPL includes / libraries / specifics

View File

@@ -60,13 +60,14 @@ def install(self, spec, prefix):
# to command the linker to include whole static libs' content into the
# shared lib
# Note: --with-(lapack|blas)_libs= needs space separated list of names
lapack = spec['lapack'].lapack_libs
blas = spec['blas'].blas_libs
configure_args = [
'--prefix=%s' % prefix,
'--with-lapack-libs=%s' % to_lib_name(
spec['lapack'].lapack_shared_lib),
'--with-lapack-libs=%s' % lapack.names,
'--with-lapack-lib-dirs=%s' % spec['lapack'].prefix.lib,
'--with-blas-libs=%s' % to_lib_name(
spec['blas'].blas_shared_lib),
'--with-blas-libs=%s' % blas.names,
'--with-blas-lib-dirs=%s' % spec['blas'].prefix.lib
]

View File

@@ -45,6 +45,10 @@ class IntelParallelStudio(IntelInstaller):
variant('tools', default=True, description="Install the Intel Advisor, "
"VTune Amplifier, and Inspector tools")
variant('shared', default=True, description='Builds shared library')
variant('ilp64', default=False, description='64 bit integers')
variant('openmp', default=False, description='OpenMP multithreading layer')
provides('mpi', when='@cluster:+mpi')
provides('mkl', when='+mkl')
provides('daal', when='+daal')
@@ -55,6 +59,28 @@ class IntelParallelStudio(IntelInstaller):
provides('lapack', when='+mkl')
# TODO: MKL also provides implementation of Scalapack.
@property
def blas_libs(self):
shared = True if '+shared' in self.spec else False
suffix = dso_suffix if '+shared' in self.spec else 'a'
mkl_integer = ['libmkl_intel_ilp64'] if '+ilp64' in self.spec else ['libmkl_intel_lp64'] # NOQA: ignore=E501
mkl_threading = ['libmkl_intel_thread'] if '+openmp' in self.spec else ['libmkl_sequential'] # NOQA: ignore=E501
mkl_libs = find_libraries(
mkl_integer + ['libmkl_core'] + mkl_threading,
root=join_path(self.prefix.lib, 'intel64'),
shared=shared
)
system_libs = [
'libpthread.{0}'.format(suffix),
'libm.{0}'.format(suffix),
'libdl.{0}'.format(suffix)
]
return mkl_libs + system_libs
@property
def lapack_libs(self):
return self.blas_libs
def check_variants(self, spec):
error_message = '\t{variant} can not be turned off if "+all" is set'
@@ -171,24 +197,6 @@ def install(self, spec, prefix):
os.symlink(os.path.join(self.prefix.man, "common", "man1"),
os.path.join(self.prefix.man, "man1"))
def setup_dependent_package(self, module, dspec):
# For now use Single Dynamic Library:
# To set the threading layer at run time, use the
# mkl_set_threading_layer function or set MKL_THREADING_LAYER
# variable to one of the following values: INTEL, SEQUENTIAL, PGI.
# To set interface layer at run time, use the mkl_set_interface_layer
# function or set the MKL_INTERFACE_LAYER variable to LP64 or ILP64.
# Otherwise one would need to specify several libraries
# (e.g. mkl_intel_lp64;mkl_sequential;mkl_core), which reflect
# different interface and threading layers.
name = 'libmkl_rt.%s' % dso_suffix
libdir = find_library_path(name, self.prefix.lib64, self.prefix.lib)
self.spec.blas_shared_lib = join_path(libdir, name)
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
def setup_environment(self, spack_env, run_env):
# TODO: Determine variables needed for the professional edition.

View File

@@ -24,13 +24,40 @@ class Mkl(IntelInstaller):
version('11.3.3.210', 'f72546df27f5ebb0941b5d21fd804e34',
url="file://%s/l_mkl_11.3.3.210.tgz" % os.getcwd())
variant('shared', default=True, description='Builds shared library')
variant('ilp64', default=False, description='64 bit integers')
variant('openmp', default=False, description='OpenMP multithreading layer')
# virtual dependency
provides('blas')
provides('lapack')
# TODO: MKL also provides implementation of Scalapack.
def install(self, spec, prefix):
@property
def blas_libs(self):
shared = True if '+shared' in self.spec else False
suffix = dso_suffix if '+shared' in self.spec else 'a'
mkl_integer = ['libmkl_intel_ilp64'] if '+ilp64' in self.spec else ['libmkl_intel_lp64'] # NOQA: ignore=E501
mkl_threading = ['libmkl_sequential']
if '+openmp' in spec:
mkl_threading = ['libmkl_intel_thread'] if '%intel' in self.spec else ['libmkl_gnu_thread'] # NOQA: ignore=E501
mkl_libs = find_libraries(
mkl_integer + ['libmkl_core'] + mkl_threading,
root=join_path(self.prefix.lib, 'intel64'),
shared=shared
)
system_libs = [
'libpthread.{0}'.format(suffix),
'libm.{0}'.format(suffix),
'libdl.{0}'.format(suffix)
]
return mkl_libs + system_libs
@property
def lapack_libs(self):
return self.blas_libs
def install(self, spec, prefix):
self.intel_prefix = os.path.join(prefix, "pkg")
IntelInstaller.install(self, spec, prefix)
@@ -45,25 +72,6 @@ def install(self, spec, prefix):
os.symlink(os.path.join(mkl_lib_dir, f),
os.path.join(self.prefix, "lib", f))
def setup_dependent_package(self, module, dspec):
# For now use Single Dynamic Library:
# To set the threading layer at run time, use the
# mkl_set_threading_layer function or set MKL_THREADING_LAYER
# variable to one of the following values: INTEL, SEQUENTIAL, PGI.
# To set interface layer at run time, use the mkl_set_interface_layer
# function or set the MKL_INTERFACE_LAYER variable to LP64 or ILP64.
# Otherwise one would need to specify several libraries
# (e.g. mkl_intel_lp64;mkl_sequential;mkl_core), which reflect
# different interface and threading layers.
name = 'libmkl_rt.%s' % dso_suffix
libdir = find_library_path(name, self.prefix.lib64, self.prefix.lib)
# Now set blas/lapack libs:
self.spec.blas_shared_lib = join_path(libdir, name)
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
def setup_dependent_environment(self, spack_env, run_env, dependent_spec):
# set up MKLROOT for everyone using MKL package
spack_env.set('MKLROOT', self.prefix)

View File

@@ -75,9 +75,8 @@ def write_makefile_inc(self):
raise RuntimeError(
'You cannot use the variants parmetis or ptscotch without mpi')
makefile_conf = ["LIBBLAS = %s" % to_link_flags(
self.spec['blas'].blas_shared_lib)
]
blas = self.spec['blas'].blas_libs
makefile_conf = ["LIBBLAS = %s" % blas.ld_flags]
orderings = ['-Dpord']
@@ -136,11 +135,12 @@ def write_makefile_inc(self):
'OPTC = %s -O ' % fpic])
if '+mpi' in self.spec:
scalapack = self.spec['scalapack'].scalapack_libs
makefile_conf.extend(
["CC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpicc'),
"FC = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
"FL = %s" % join_path(self.spec['mpi'].prefix.bin, 'mpif90'),
"SCALAP = %s" % self.spec['scalapack'].fc_link,
"SCALAP = %s" % scalapack.ld_flags,
"MUMPS_TYPE = par"])
else:
makefile_conf.extend(

View File

@@ -67,6 +67,20 @@ def patch(self):
'${CMAKE_CURRENT_SOURCE_DIR}/cmake/',
'CBLAS/CMakeLists.txt', string=True)
@property
def blas_libs(self):
shared = True if '+shared' in self.spec else False
return find_libraries(
['libblas'], root=self.prefix, shared=shared, recurse=True
)
@property
def lapack_libs(self):
shared = True if '+shared' in self.spec else False
return find_libraries(
['liblapack'], root=self.prefix, shared=shared, recurse=True
)
def install_one(self, spec, prefix, shared):
cmake_args = [
'-DBUILD_SHARED_LIBS:BOOL=%s' % ('ON' if shared else 'OFF'),
@@ -100,18 +114,3 @@ def install(self, spec, prefix):
# Build shared libraries if requested.
if '+shared' in spec:
self.install_one(spec, prefix, True)
def setup_dependent_package(self, module, dspec):
# This is WIP for a prototype interface for virtual packages.
# We can update this as more builds start depending on BLAS/LAPACK.
libdir = find_library_path(
'libblas.a', self.prefix.lib64, self.prefix.lib)
self.spec.blas_static_lib = join_path(libdir, 'libblas.a')
self.spec.lapack_static_lib = join_path(libdir, 'liblapack.a')
if '+shared' in self.spec:
self.spec.blas_shared_lib = join_path(
libdir, 'libblas.%s' % dso_suffix)
self.spec.lapack_shared_lib = join_path(
libdir, 'liblapack.%s' % dso_suffix)

View File

@@ -28,10 +28,11 @@
class NetlibScalapack(Package):
"""ScaLAPACK is a library of high-performance linear algebra routines for
parallel distributed memory machines"""
parallel distributed memory machines
"""
homepage = "http://www.netlib.org/scalapack/"
url = "http://www.netlib.org/scalapack/scalapack-2.0.2.tgz"
url = "http://www.netlib.org/scalapack/scalapack-2.0.2.tgz"
version('2.0.2', '2f75e600a2ba155ed9ce974a1c4b536f')
version('2.0.1', '17b8cde589ea0423afe1ec43e7499161')
@@ -39,10 +40,16 @@ class NetlibScalapack(Package):
# versions before 2.0.0 are not using cmake and requires blacs as
# a separated package
variant('shared', default=True,
description='Build the shared library version')
variant('fpic', default=False,
description="Build with -fpic compiler option")
variant(
'shared',
default=True,
description='Build the shared library version'
)
variant(
'fpic',
default=False,
description='Build with -fpic compiler option'
)
provides('scalapack')
@@ -51,6 +58,13 @@ class NetlibScalapack(Package):
depends_on('blas')
depends_on('cmake', when='@2.0.0:', type='build')
@property
def scalapack_libs(self):
shared = True if '+shared' in self.spec else False
return find_libraries(
['libscalapack'], root=self.prefix, shared=shared, recurse=True
)
def install(self, spec, prefix):
options = [
"-DBUILD_SHARED_LIBS:BOOL=%s" % ('ON' if '+shared' in spec else
@@ -60,14 +74,13 @@ def install(self, spec, prefix):
]
# Make sure we use Spack's Lapack:
blas = spec['blas'].blas_libs
lapack = spec['lapack'].lapack_libs
options.extend([
'-DLAPACK_FOUND=true',
'-DLAPACK_LIBRARIES=%s' % (
spec['lapack'].lapack_shared_lib if '+shared' in spec else
spec['lapack'].lapack_static_lib),
'-DBLAS_LIBRARIES=%s' % (
spec['blas'].blas_shared_lib if '+shared' in spec else
spec['blas'].blas_static_lib)
'-DLAPACK_INCLUDE_DIRS=%s' % spec['lapack'].prefix.include,
'-DLAPACK_LIBRARIES=%s' % (lapack.joined()),
'-DBLAS_LIBRARIES=%s' % (blas.joined())
])
if '+fpic' in spec:
@@ -86,12 +99,3 @@ def install(self, spec, prefix):
# The shared libraries are not installed correctly on Darwin:
if (sys.platform == 'darwin') and ('+shared' in spec):
fix_darwin_install_name(prefix.lib)
def setup_dependent_package(self, module, dependent_spec):
spec = self.spec
lib_suffix = dso_suffix if '+shared' in spec else 'a'
spec.fc_link = '-L%s -lscalapack' % spec.prefix.lib
spec.cc_link = spec.fc_link
spec.libraries = [join_path(spec.prefix.lib,
'libscalapack.%s' % lib_suffix)]

View File

@@ -66,6 +66,9 @@ class Nwchem(Package):
patch('Gcc6_macs_optfix.patch', when='@6.6', level=0)
def install(self, spec, prefix):
scalapack = spec['scalapack'].scalapack_libs
lapack = spec['lapack'].lapack_libs
blas = spec['blas'].blas_libs
# see http://www.nwchem-sw.org/index.php/Compiling_NWChem
args = []
args.extend([
@@ -79,13 +82,11 @@ def install(self, spec, prefix):
'USE_PYTHONCONFIG=y',
'PYTHONVERSION=%s' % spec['python'].version.up_to(2),
'PYTHONHOME=%s' % spec['python'].prefix,
'BLASOPT=%s %s' % (
to_link_flags(spec['lapack'].lapack_shared_lib),
to_link_flags(spec['blas'].blas_shared_lib)),
'BLAS_LIB=%s' % to_link_flags(spec['blas'].blas_shared_lib),
'LAPACK_LIB=%s' % to_link_flags(spec['lapack'].lapack_shared_lib),
'BLASOPT=%s' % ((lapack + blas).ld_flags),
'BLAS_LIB=%s' % blas.ld_flags,
'LAPACK_LIB=%s' % lapack.ld_flags,
'USE_SCALAPACK=y',
'SCALAPACK=%s' % spec['scalapack'].fc_link,
'SCALAPACK=%s' % scalapack.ld_flags,
'NWCHEM_MODULES=all python',
'NWCHEM_LONG_PATHS=Y' # by default NWCHEM_TOP is 64 char max
])

View File

@@ -46,13 +46,13 @@ class Octopus(Package):
# FEAST, Libfm, PFFT, ISF, PNFFT
def install(self, spec, prefix):
lapack = spec['lapack'].lapack_libs
blas = spec['blas'].blas_libs
args = []
args.extend([
'--prefix=%s' % prefix,
'--with-blas=%s' % to_link_flags(
spec['blas'].blas_shared_lib),
'--with-lapack=%s' % to_link_flags(
spec['lapack'].lapack_shared_lib),
'--with-blas=%s' % blas.ld_flags,
'--with-lapack=%s' % lapack.ld_flags,
'--with-gsl-prefix=%s' % spec['gsl'].prefix,
'--with-libxc-prefix=%s' % spec['libxc'].prefix,
'CC=%s' % spec['mpi'].mpicc,

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@@ -30,7 +30,7 @@
class Openblas(Package):
"""OpenBLAS: An optimized BLAS library"""
homepage = "http://www.openblas.net"
url = "http://github.com/xianyi/OpenBLAS/archive/v0.2.15.tar.gz"
url = "http://github.com/xianyi/OpenBLAS/archive/v0.2.15.tar.gz"
version('0.2.19', '28c998054fd377279741c6f0b9ea7941')
version('0.2.18', '805e7f660877d588ea7e3792cda2ee65')
@@ -51,6 +51,17 @@ class Openblas(Package):
patch('make.patch')
@property
def blas_libs(self):
shared = True if '+shared' in self.spec else False
return find_libraries(
['libopenblas'], root=self.prefix, shared=shared, recurse=True
)
@property
def lapack_libs(self):
return self.blas_libs
def install(self, spec, prefix):
# As of 06/2016 there is no mechanism to specify that packages which
# depends on Blas/Lapack need C or/and Fortran symbols. For now
@@ -100,6 +111,9 @@ def install(self, spec, prefix):
# no quotes around prefix (spack doesn't use a shell)
make('install', "PREFIX=%s" % prefix, *make_defs)
# TODO : the links below are mainly there because client
# TODO : packages are wrongly written. Check if they can be removed
# Blas virtual package should provide blas.a and libblas.a
with working_dir(prefix.lib):
symlink('libopenblas.a', 'blas.a')
@@ -120,21 +134,6 @@ def install(self, spec, prefix):
# test.
self.check_install(spec)
def setup_dependent_package(self, module, dspec):
# This is WIP for a prototype interface for virtual packages.
# We can update this as more builds start depending on BLAS/LAPACK.
libdir = find_library_path('libopenblas.a',
self.prefix.lib64,
self.prefix.lib)
self.spec.blas_static_lib = join_path(libdir, 'libopenblas.a')
self.spec.lapack_static_lib = self.spec.blas_static_lib
if '+shared' in self.spec:
self.spec.blas_shared_lib = join_path(libdir, 'libopenblas.%s' %
dso_suffix)
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
def check_install(self, spec):
source_file = join_path(os.path.dirname(self.module.__file__),
'test_cblas_dgemm.c')

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@@ -29,7 +29,7 @@ class Opium(Package):
"""DFT pseudopotential generation project"""
homepage = "https://opium.sourceforge.net/index.html"
url = "https://downloads.sourceforge.net/project/opium/opium/opium-v3.8/opium-v3.8-src.tgz"
url = "https://downloads.sourceforge.net/project/opium/opium/opium-v3.8/opium-v3.8-src.tgz"
version('3.8', 'f710c0f869e70352b4a510c31e13bf9f')
@@ -37,12 +37,8 @@ class Opium(Package):
depends_on('lapack')
def install(self, spec, prefix):
options = [
'LDFLAGS=%s %s' % (
to_link_flags(spec['lapack'].lapack_shared_lib),
to_link_flags(spec['blas'].blas_shared_lib)
)
]
libs = spec['lapack'].lapack_libs + spec['blas'].blas_libs
options = ['LDFLAGS=%s' % libs.ld_flags]
configure(*options)
with working_dir("src", create=False):

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@@ -67,8 +67,8 @@ def install(self, spec, prefix):
'@PARMETIS_PREFIX': self.spec['parmetis'].prefix,
'@LAPACK_PREFIX': self.spec['lapack'].prefix,
'@BLAS_PREFIX': self.spec['blas'].prefix,
'@LAPACK_LIBS': self.spec['lapack'].lapack_shared_lib,
'@BLAS_LIBS': self.spec['lapack'].blas_shared_lib,
'@LAPACK_LIBS': self.spec['lapack'].lapack_libs.joined(),
'@BLAS_LIBS': self.spec['lapack'].blas_libs.joined(),
'@STDCXX_LIB': ' '.join(self.compiler.stdcxx_libs)
}

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@@ -32,7 +32,7 @@ class Psi4(Package):
a variety of molecular properties."""
homepage = "http://www.psicode.org/"
url = "https://github.com/psi4/psi4/archive/0.5.tar.gz"
url = "https://github.com/psi4/psi4/archive/0.5.tar.gz"
version('0.5', '53041b8a9be3958384171d0d22f9fdd0')
@@ -62,9 +62,10 @@ class Psi4(Package):
def install(self, spec, prefix):
cmake_args = [
'-DBLAS_TYPE={0}'.format(spec['blas'].name.upper()),
'-DBLAS_LIBRARIES={0}'.format(spec['blas'].blas_shared_lib),
'-DBLAS_LIBRARIES={0}'.format(spec['blas'].blas_libs.joined()),
'-DLAPACK_TYPE={0}'.format(spec['lapack'].name.upper()),
'-DLAPACK_LIBRARIES={0}'.format(spec['lapack'].lapack_shared_lib),
'-DLAPACK_LIBRARIES={0}'.format(
spec['lapack'].lapack_libs.joined()),
'-DBOOST_INCLUDEDIR={0}'.format(spec['boost'].prefix.include),
'-DBOOST_LIBRARYDIR={0}'.format(spec['boost'].prefix.lib),
'-DENABLE_CHEMPS2=OFF'
@@ -90,9 +91,9 @@ def filter_compilers(self, spec, prefix):
kwargs = {'ignore_absent': True, 'backup': False, 'string': True}
cc_files = ['bin/psi4-config']
cc_files = ['bin/psi4-config']
cxx_files = ['bin/psi4-config', 'include/psi4/psiconfig.h']
template = 'share/psi4/plugin/Makefile.template'
template = 'share/psi4/plugin/Makefile.template'
for filename in cc_files:
filter_file(os.environ['CC'], self.compiler.cc,

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@@ -47,7 +47,7 @@ def install(self, spec, prefix):
env['ATLAS'] = join_path(
spec['atlas'].prefix.lib, 'libatlas.' + dso_suffix)
else:
env['BLAS'] = spec['blas'].blas_shared_lib
env['LAPACK'] = spec['lapack'].lapack_shared_lib
env['BLAS'] = spec['blas'].blas_libs.joined()
env['LAPACK'] = spec['lapack'].lapack_libs.joined()
python('setup.py', 'install', '--prefix=%s' % prefix)

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@@ -80,8 +80,8 @@ def install(self, spec, prefix):
# Make sure Spack's Blas/Lapack is used. Otherwise System's
# Blas/Lapack might be picked up.
blas = to_link_flags(spec['blas'].blas_shared_lib)
lapack = to_link_flags(spec['lapack'].lapack_shared_lib)
blas = spec['blas'].blas_libs.ld_flags
lapack = spec['lapack'].lapack_libs.ld_flags
if '@4.5.1' in spec:
# adding -lstdc++ is clearly an ugly way to do this, but it follows
# with the TCOV path of SparseSuite 4.5.1's Suitesparse_config.mk

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@@ -31,7 +31,7 @@ class Sundials(Package):
Solvers)"""
homepage = "http://computation.llnl.gov/casc/sundials/"
url = "http://computation.llnl.gov/projects/sundials-suite-nonlinear-differential-algebraic-equation-solvers/download/sundials-2.6.2.tar.gz"
url = "http://computation.llnl.gov/projects/sundials-suite-nonlinear-differential-algebraic-equation-solvers/download/sundials-2.6.2.tar.gz"
version('2.6.2', '3deeb0ede9f514184c6bd83ecab77d95')
@@ -79,9 +79,9 @@ def install(self, spec, prefix):
if '+lapack' in spec:
cmake_args.extend([
'-DLAPACK_ENABLE=ON',
'-DLAPACK_LIBRARIES={0};{1}'.format(
spec['lapack'].lapack_shared_lib,
spec['blas'].blas_shared_lib
'-DLAPACK_LIBRARIES={0}'.format(
(spec['lapack'].lapack_libs +
spec['blas'].blas_libs).joined(';')
)
])
else:
@@ -113,7 +113,7 @@ def install(self, spec, prefix):
elif '+pthread' in spec:
cmake_args.append('-DSUPERLUMT_THREAD_TYPE=Pthread')
else:
msg = 'You must choose either +openmp or +pthread when '
msg = 'You must choose either +openmp or +pthread when '
msg += 'building with SuperLU_MT'
raise RuntimeError(msg)
else:

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@@ -46,15 +46,14 @@ class SuperluDist(Package):
depends_on('metis@5:')
def install(self, spec, prefix):
lapack_blas = spec['lapack'].lapack_libs + spec['blas'].blas_libs
makefile_inc = []
makefile_inc.extend([
'PLAT = _mac_x',
'DSuperLUroot = %s' % self.stage.source_path,
'DSUPERLULIB = $(DSuperLUroot)/lib/libsuperlu_dist.a',
'BLASDEF = -DUSE_VENDOR_BLAS',
'BLASLIB = %s %s' %
(to_link_flags(spec['lapack'].lapack_shared_lib),
to_link_flags(spec['blas'].blas_shared_lib)),
'BLASLIB = %s' % lapack_blas.ld_flags,
'METISLIB = -L%s -lmetis' % spec['metis'].prefix.lib,
'PARMETISLIB = -L%s -lparmetis' % spec['parmetis'].prefix.lib,
'FLIBS =',

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@@ -42,7 +42,7 @@ def install(self, spec, prefix):
'-DCMAKE_POSITION_INDEPENDENT_CODE=ON',
# BLAS support
'-Denable_blaslib=OFF',
'-DBLAS_blas_LIBRARY={0}'.format(spec['blas'].blas_shared_lib)
'-DBLAS_blas_LIBRARY={0}'.format(spec['blas'].blas_libs.joined())
]
cmake_args.extend(std_cmake_args)

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@@ -132,6 +132,8 @@ def install(self, spec, prefix):
mpi_bin = spec['mpi'].prefix.bin
# Note: -DXYZ_LIBRARY_NAMES= needs semicolon separated list of names
blas = spec['blas'].blas_libs
lapack = spec['lapack'].lapack_libs
options.extend([
'-DTrilinos_ENABLE_ALL_PACKAGES:BOOL=ON',
'-DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES:BOOL=ON',
@@ -145,12 +147,10 @@ def install(self, spec, prefix):
'-DTPL_ENABLE_MPI:BOOL=ON',
'-DMPI_BASE_DIR:PATH=%s' % spec['mpi'].prefix,
'-DTPL_ENABLE_BLAS=ON',
'-DBLAS_LIBRARY_NAMES=%s' % to_lib_name(
spec['blas'].blas_shared_lib),
'-DBLAS_LIBRARY_NAMES=%s' % ';'.join(blas.names),
'-DBLAS_LIBRARY_DIRS=%s' % spec['blas'].prefix.lib,
'-DTPL_ENABLE_LAPACK=ON',
'-DLAPACK_LIBRARY_NAMES=%s' % to_lib_name(
spec['lapack'].lapack_shared_lib),
'-DLAPACK_LIBRARY_NAMES=%s' % ';'.join(lapack.names),
'-DLAPACK_LIBRARY_DIRS=%s' % spec['lapack'].prefix.lib,
'-DTrilinos_ENABLE_EXPLICIT_INSTANTIATION:BOOL=ON',
'-DTrilinos_ENABLE_CXX11:BOOL=ON',

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@@ -47,13 +47,12 @@ class Wannier90(Package):
def install(self, spec, prefix):
lapack = self.spec['lapack'].lapack_libs
blas = self.spec['blas'].blas_libs
substitutions = {
'@F90': spack_fc,
'@MPIF90': self.spec['mpi'].mpifc,
'@LIBS': ' '.join([
self.spec['lapack'].lapack_shared_lib,
self.spec['lapack'].blas_shared_lib
])
'@LIBS': (lapack + blas).joined()
}
#######
# TODO : this part is replicated in PEXSI