#!/usr/bin/env python
# PYTHON_ARGCOMPLETE_OK
"""
The main ase2sprkkr scripts. See the commands subdir for the available commands.
"""
import argparse
import argcomplete
import sys
import pkgutil
import importlib
from pathlib import Path
import os
[docs]
def fix_package():
global __package__
if not __package__:
path = str(Path(__file__).resolve().parents[1])
sys.path.append(path)
spec = importlib.util.spec_from_file_location("ase2sprkkr", os.path.join(path, '__init__.py'))
ase2sprkkr = importlib.util.module_from_spec(spec)
sys.modules["ase2sprkkr"] = ase2sprkkr
spec.loader.exec_module(ase2sprkkr)
__package__ = 'ase2sprkkr.tools'
[docs]
def run():
parser = argparse.ArgumentParser(
description='ASE2SPRKKR tool: tool for visualising SPRKKR result',
formatter_class=argparse.RawDescriptionHelpFormatter,
epilog='You can install autocompleting for bash and zsh by running/adding to the .bashrc: \n'
'eval "$(register-python-argcomplete ase2sprkkr)"'
)
parser.add_argument('--version', '-v', help='Print the version of ASE2SPRKKR.', action='store_true')
parser.add_argument('--debug', '-G', help='Raise a debugger on an unhandled exception.', action='store_true')
parser.add_argument('--profile', '-P', help='Run a python profiler on the command.', action='store_true')
#parser.add_argument('--no-user-profile', '-U', help='Do not load the user profile file.', action='store_true')
subs = parser.add_subparsers( dest = 'ase2sprkkr_command', description='Run ase2sprkkr <subcommand> -h for futhrer info')
# os.environ['ASE2SPRKKR_NO_USER_PROFILE'] = '1'
fix_package()
import ase2sprkkr.tools.commands as commands # NOQA
names = (i for i in pkgutil.iter_modules(commands.__path__))
im = importlib.import_module
modules = ( im(commands.__name__ + '.' + i.name, __package__) for i in names )
modules = { m.__name__.rsplit('.',1)[1]: m for m in modules if hasattr(m, 'parser') }
unknowns = {}
for name, m in modules.items():
name = name.replace('_', '-')
sub = subs.add_parser( name,
help=m.help,
formatter_class=argparse.RawDescriptionHelpFormatter,
description = m.help + '\n' + m.description )
if hasattr(m, 'unknowns'):
unknowns[name] = m.unknowns
m.parser( sub )
argcomplete.autocomplete(parser)
args, remainder = parser.parse_known_args()
if remainder:
where = unknowns.get(args.ase2sprkkr_command, None)
if where is None:
parser.parse_args()
else:
where = getattr(args, where)
where += remainder
help = True
if args.debug:
from ase2sprkkr.common.debug import add_debug_hook
add_debug_hook()
del args.debug
del args.profile
if args.version:
import ase2sprkkr.version
print(ase2sprkkr.version.__version__)
help=False
else:
del args.version
if args.ase2sprkkr_command is None:
if help:
parser.print_help()
else:
action = modules[ args.ase2sprkkr_command.replace('-','_') ].run
del args.ase2sprkkr_command
action(args)
if __name__ == "__main__":
if '-P' in sys.argv or '--profile' in sys.argv:
import cProfile
import io
import pstats
pr = cProfile.Profile()
pr.enable()
run()
pr.disable()
s = io.StringIO()
sortby = pstats.SortKey.CUMULATIVE
ps = pstats.Stats(pr, stream=s).sort_stats(sortby)
ps.print_stats(0.1)
print(s.getvalue())
else:
run()