def write_splash():
if not NexusCore.wrote_splash:
splash_text = '''
_____________________________________________________
Nexus {}.{}.{}
(c) Copyright 2012- Nexus developers
Please cite:
J. T. Krogel Comput. Phys. Commun. 198 154 (2016)
https://doi.org/10.1016/j.cpc.2015.08.012
_____________________________________________________
'''.format(*nexus_version)
log(splash_text)
NexusCore.wrote_splash = True
def __call__(self,msg,level='low',n=0,time=False,mem=False,width=75):
if self.verbosity==self.verbosity_levels.none:
return
elif self.verbosity >= self.verbosity_levels[level]:
if mem or time:
npad = max(0,width-2*(n+self.indent)-len(msg)-36)
if npad>0:
msg += npad*' '
#end if
if mem:
dm = 1e6 # MB
mnow = memory.resident(children=True)
msg += ' (mem add {:6.2f}, tot {:6.2f})'.format((mnow-self.mlast)/dm,(mnow-self.mstart)/dm)
self.mlast = mnow
#end if
if time:
tnow = process_time()
msg += ' (t elap {:7.3f}, tot {:7.3f})'.format(tnow-self.tlast,tnow-self.tstart)
self.tlast = tnow
#end if
#end if
log(msg,n=n+self.indent)
def extract_input_specification(*ezfio_paths):
if len(ezfio_paths) == 1 and isinstance(ezfio_paths[0], (list, tuple)):
ezfio_paths = ezfio_paths[0]
#end if
log('\nextracting Quantum Package input specification from ezfio directories'
)
typedict = {bool: 'bool', int: 'int', float: 'float', str: 'str'}
new_input_spec = obj()
for vpath, vtype in input_specification.items():
new_input_spec[vpath] = typedict[vtype]
#end for
for epath in ezfio_paths:
epath = epath.rstrip('/')
if not epath.endswith('.ezfio'):
error(
'cannot extract input spec from path\ninput path provided is not an ezfio directory\ninput path provided: {0}'
.format(epath), 'Quantum Package')
elif not os.path.exists(epath):
error(
'cannot extract input spec from path\ninput path provided does not exist\ninput path provided: {0}'
.format(epath), 'Quantum Package')
#end if
log(' extracting from: {0}'.format(epath))
for path, dirs, files in os.walk(epath):
for file in files:
if 'save' not in path and 'work' not in path:
if not file.startswith('.') and not file.endswith('.gz'):
filepath = os.path.join(path, file)
vtype = read_qp_value_type(filepath)
vpath = filepath.replace(epath, '').strip('/')
if vpath not in new_input_spec:
new_input_spec[vpath] = vtype
#end if
#end if
#end if
#end for
#end for
#end for
log(' extraction complete')
old_vpaths = set(input_specification.keys())
new_vpaths = set(new_input_spec.keys())
if new_vpaths == old_vpaths:
log('\ninput specification in quantum_package_input.py needs no changes\n'
)
else:
log('\nplease replace input_specification in quantum_package_input.py with the following:\n'
)
log('input_specification = obj({')
s = ''
for vpath in sorted(new_input_spec.keys()):
vtype = new_input_spec[vpath]
s += " '{0}' : {1},\n".format(vpath, vtype)
#end for
s += ' })\n'
log(s)