Example #1
0
               ]

###

#
# Scan all metadata and get list of potentials
#

#print 'Scanning f90 metadata in directory {0}...'.format(srcdir)
metadata = scanallmeta(['{0}/{1}'.format(srcdir, x) for x in 
                        ['notb', 'potentials', 'potentials_nonfree']])

#print 'Writing factories...'

# Coulomb modules
mods1, fns1 = get_module_list(metadata, 'coulomb',
                              include_list = inc_dirs)
if sys.version_info >= (3,0):
    lib_srcs += fns1
else:
    lib_srcs += [ fn.encode('ascii') for fn in fns1 ]

print('* Found the following Coulomb modules:')
for f90name, f90type, name, features, methods in mods1:
    print('    {0}'.format(name))


# Write coulomb factory
write_coulomb_factory_f90(mods1, 'coulomb', 'build/coulomb_factory_f90.f90')
write_coulomb_factory_c(mods1, 'coulomb',
                        '%s/python/c/coulomb_factory.template.c' \
                             % (srcdir),
Example #2
0
               ]

###

#
# Scan all metadata and get list of potentials
#

#print 'Scanning f90 metadata in directory {0}...'.format(srcdir)
metadata = scanallmeta(['{0}/{1}'.format(srcdir, x) for x in
                        ['notb', 'potentials', 'potentials_nonfree']])

#print 'Writing factories...'

# Coulomb modules
mods1, fns1 = get_module_list(metadata, 'coulomb',
                              include_list = inc_dirs)
if sys.version_info >= (3,0):
    lib_srcs += fns1
else:
    lib_srcs += [ fn.encode('ascii') for fn in fns1 ]

print('* Found the following Coulomb modules:')
for f90name, f90type, name, features, methods in mods1:
    print('    {0}'.format(name))


# Write coulomb factory
write_coulomb_factory_f90(mods1, 'coulomb', 'build/coulomb_factory_f90.f90')
write_coulomb_factory_c(mods1, 'coulomb',
                        '%s/python/c/coulomb_factory.template.c' \
                             % (srcdir),
Example #3
0
###

#
# Scan all metadata and get list of potentials
#

#print 'Scanning f90 metadata in directory {0}...'.format(srcdir)
metadata = scanallmeta(srcdir)

#print 'Writing factories...'

mods2, fns2 = get_module_list(metadata,
                              'potentials',
                              finterface_list=['register_data'],
                              exclude_list=[
                                  'MolecularTightBinding', 'VariableCharge',
                                  'ConstantForce', 'HarmonicHook', 'Harmonic',
                                  'LennardJones', 'Confinement', 'SlidingP',
                                  'FFMTip'
                              ])
lib_srcs += fns2

write_factory_f90(mods2, 'potential', 'build/potentials_factory_f90.f90')
write_factory_c(mods2, 'potential',
                '{0}/python/c/factory.template.c'.format(srcdir),
                'build/potentials_factory_c.c',
                '{0}/python/c/factory.template.h'.format(srcdir),
                'build/potentials_factory_c.h')
lib_srcs += [
    'build/potentials_factory_f90.f90',
    'build/potentials_factory_c.c',
Example #4
0
              ]

###

#
# Scan all metadata and get list of potentials
#

#print 'Scanning f90 metadata in directory {0}...'.format(srcdir)
metadata = scanallmeta(srcdir)

#print 'Writing factories...'

# Coulomb modules
mods1, fns1 = get_module_list(metadata, 'coulomb',
                              finterface_list = [ 'register_data',
                                                  'set_Hubbard_U' ])
lib_srcs += fns1


# Write coulomb factory
write_coulomb_factory_f90(mods1, 'coulomb', 'build/coulomb_factory_f90.f90')
write_coulomb_factory_c(mods1, 'coulomb',
                        '%s/python/c/coulomb_factory.template.c' \
                             % (srcdir),
                        'build/coulomb_factory_c.c',
                        '%s/python/c/coulomb_factory.template.h' \
                             % (srcdir),
                        'build/coulomb_factory_c.h')
lib_srcs += [ '%s/python/f90/coulomb_dispatch.f90' % (srcdir),
              'build/coulomb_factory_f90.f90',
Example #5
0
#
# Scan all metadata and get list of potentials
#

#print 'Scanning f90 metadata in directory {0}...'.format(srcdir)
metadata = scanallmeta(srcdir)

#print 'Writing factories...'

mods2, fns2 = get_module_list(metadata, 'potentials',
                              finterface_list = [ 'register_data' ],
                              exclude_list = [ 'MolecularTightBinding',
                                               'VariableCharge',
                                               'ConstantForce',
                                               'HarmonicHook',
                                               'Harmonic',
                                               'LennardJones',
                                               'Confinement',
                                               'SlidingP',
                                               'FFMTip' ]
                              )
lib_srcs += fns2

write_factory_f90(mods2, 'potential', 'build/potentials_factory_f90.f90')
write_factory_c(mods2, 'potential', 
                '{0}/python/c/factory.template.c'.format(srcdir),
                'build/potentials_factory_c.c',
                '{0}/python/c/factory.template.h'.format(srcdir),
                'build/potentials_factory_c.h')
lib_srcs += [ 'build/potentials_factory_f90.f90',
              'build/potentials_factory_c.c',