if __name__ == '__main__':
optlist, args = getopt.getopt(sys.argv[1:], '',
['exclude=', 'has_finterface='])
if len(args) != 5:
raise RuntimeError('Syntax: listclasses.py <path> <interface> '
'<definition-file> <makefile> <config-file> '
'[--exclude=<exclude list>] '
'[--has_finterface=<interface list>]')
path = args[0]
interface = args[1]
deffn = args[2]
mkfn = args[3]
cfgfn = args[4]
exclude_list = [ ]
finterface_list = [ ]
for key, value in optlist:
if key == '--exclude':
exclude_list = value.split(',')
elif key == '--has_finterface':
finterface_list = value.split(',')
metadata = scanallmeta(path)
write_interface_info(metadata, interface, finterface_list, exclude_list,
deffn, mkfn, cfgfn)
'src/notb',
'src/notb/dense',
]
lib_macros = [ ( 'NO_BIND_C_OPTIONAL', None ),
( 'MDCORE_PYTHON', None ),
]
###
#
# 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))
'%s/python/c/neighbors.c' % (srcdir),
'%s/python/c/coulomb.c' % (srcdir),
'%s/python/c/coulomb_callback.c' % (srcdir),
'%s/python/c/potential.c' % (srcdir),
'%s/python/c/analysis.c' % (srcdir),
'%s/python/c/atomisticamodule.c' % (srcdir),
]
###
#
# 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),
'src/notb',
'src/notb/dense',
]
lib_macros = [ ( 'NO_BIND_C_OPTIONAL', None ),
( 'PYTHON', None ),
]
###
#
# 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))
'{0}/python/c/py_f.c'.format(srcdir),
'{0}/python/c/particles.c'.format(srcdir),
'{0}/python/c/neighbors.c'.format(srcdir),
'{0}/python/c/potential.c'.format(srcdir),
'{0}/python/c/analysis.c'.format(srcdir),
'{0}/python/c/mdcoremodule.c'.format(srcdir),
]
###
#
# 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')
