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Use new-ish blas_shared_lib and more flake8 fixes

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This commit is contained in:
Adam J. Stewart 2016-05-11 10:22:59 -05:00
parent e2e72b14b2
commit d7020434d9
1 changed files with 25 additions and 19 deletions
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44
var/spack/repos/builtin/packages/elk/package.py
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@ -22,8 +22,8 @@
# License along with this program; if not, write to the Free Software # License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
############################################################################## ##############################################################################
from spack import *
import spack import spack
from spack import *
class Elk(Package): class Elk(Package):
@ -36,14 +36,20 @@ class Elk(Package):
version('3.3.17', 'f57f6230d14f3b3b558e5c71f62f0592') version('3.3.17', 'f57f6230d14f3b3b558e5c71f62f0592')
# Elk provides these libraries, but allows you to specify your own # Elk provides these libraries, but allows you to specify your own
variant('blas', default=True, description='Build with custom BLAS library') variant('blas', default=True,
variant('lapack', default=True, description='Build with custom LAPACK library') description='Build with custom BLAS library')
variant('fft', default=True, description='Build with custom FFT library') variant('lapack', default=True,
description='Build with custom LAPACK library')
variant('fft', default=True,
description='Build with custom FFT library')
# Elk does not provide these libraries, but allows you to use them # Elk does not provide these libraries, but allows you to use them
variant('mpi', default=True, description='Enable MPI parallelism') variant('mpi', default=True,
variant('openmp', default=True, description='Enable OpenMP support') description='Enable MPI parallelism')
variant('libxc', default=True, description='Link to Libxc functional library') variant('openmp', default=True,
description='Enable OpenMP support')
variant('libxc', default=True,
description='Link to Libxc functional library')
depends_on('blas', when='+blas') depends_on('blas', when='+blas')
depends_on('lapack', when='+lapack') depends_on('lapack', when='+lapack')
@ -54,17 +60,16 @@ class Elk(Package):
# Cannot be built in parallel # Cannot be built in parallel
parallel = False parallel = False
def configure(self, spec): def configure(self, spec):
# Dictionary of configuration options # Dictionary of configuration options
config = { config = {
'MAKE': 'make', 'MAKE': 'make',
'AR': 'ar' 'AR': 'ar'
} }
# Compiler-specific flags # Compiler-specific flags
flags = '' flags = ''
if self.compiler.name == 'intel': if self.compiler.name == 'intel':
flags = '-O3 -ip -unroll -no-prec-div' flags = '-O3 -ip -unroll -no-prec-div'
elif self.compiler.name == 'gcc': elif self.compiler.name == 'gcc':
flags = '-O3 -ffast-math -funroll-loops' flags = '-O3 -ffast-math -funroll-loops'
@ -84,15 +89,17 @@ def configure(self, spec):
# if the +openmp variant is chosen # if the +openmp variant is chosen
blas = 'blas.a' blas = 'blas.a'
lapack = 'lapack.a' lapack = 'lapack.a'
if '+blas' in spec: if '+blas' in spec:
blas = join_path(spec['blas'].prefix.lib, 'libblas.so') blas = spec['blas'].blas_shared_lib
if '+lapack' in spec: if '+lapack' in spec:
lapack = join_path(spec['lapack'].prefix.lib, 'liblapack.so') lapack = spec['lapack'].lapack_shared_lib
config['LIB_LPK'] = ' '.join([lapack, blas]) # lapack must come before blas # lapack must come before blas
config['LIB_LPK'] = ' '.join([lapack, blas])
# FFT support # FFT support
if '+fft' in spec: if '+fft' in spec:
config['LIB_FFT'] = join_path(spec['fftw'].prefix.lib, 'libfftw3.so') config['LIB_FFT'] = join_path(spec['fftw'].prefix.lib,
'libfftw3.so')
config['SRC_FFT'] = 'zfftifc_fftw.f90' config['SRC_FFT'] = 'zfftifc_fftw.f90'
else: else:
config['LIB_FFT'] = 'fftlib.a' config['LIB_FFT'] = 'fftlib.a'
@ -100,8 +107,8 @@ def configure(self, spec):
# MPI support # MPI support
if '+mpi' in spec: if '+mpi' in spec:
config['F90'] = join_path(spec['mpi'].mpifc) config['F90'] = spec['mpi'].mpifc
config['F77'] = join_path(spec['mpi'].mpif77) config['F77'] = spec['mpi'].mpif77
else: else:
config['F90'] = join_path(spack.build_env_path, 'f90'), config['F90'] = join_path(spack.build_env_path, 'f90'),
config['F77'] = join_path(spack.build_env_path, 'f77'), config['F77'] = join_path(spack.build_env_path, 'f77'),
@ -133,7 +140,6 @@ def configure(self, spec):
for key in config: for key in config:
inc.write('{0} = {1}\n'.format(key, config[key])) inc.write('{0} = {1}\n'.format(key, config[key]))
def install(self, spec, prefix): def install(self, spec, prefix):
# Elk only provides an interactive setup script # Elk only provides an interactive setup script
self.configure(spec) self.configure(spec)