Source code for dpgen

from   __future__ import unicode_literals, print_function
import logging
import os


ROOT_PATH=__path__[0]
NAME="dpgen"
SHORT_CMD="dpgen"
dlog = logging.getLogger(__name__)
dlog.setLevel(logging.INFO)
dlogf = logging.FileHandler(os.getcwd()+os.sep+SHORT_CMD+'.log', delay=True)
dlogf_formatter=logging.Formatter('%(asctime)s - %(levelname)s : %(message)s')
#dlogf_formatter=logging.Formatter('%(asctime)s - %(name)s - [%(filename)s:%(funcName)s - %(lineno)d ] - %(levelname)s \n %(message)s')
dlogf.setFormatter(dlogf_formatter)
dlog.addHandler(dlogf)

__author__    = "Han Wang"
__copyright__ = "Copyright 2019"
__status__    = "Development"
try:
    from ._version import version as __version__
except ImportError:
    __version__ = 'unkown'
try:
    from ._date import date as __date__
except ImportError:
    __date__ = 'unkown'

[docs]def info(): """ Show basic information about """+NAME+""", its location and version. """ print('DeepModeling\n------------') print('Version: ' + __version__) print('Date: ' + __date__) print('Path: ' + ROOT_PATH) print('') print('Dependency') print('------------') for modui in ['numpy', 'dpdata', 'pymatgen', 'monty', 'ase', 'paramiko', 'custodian' ]: try: mm = __import__(modui) print('%10s %10s %s' % (modui, mm.__version__, mm.__path__[0])) except ImportError: print('%10s %10s Not Found' % (modui, '')) except AttributeError: print('%10s %10s unknown version or path' %(modui, '')) print() # reference print("""Reference ------------ Please cite: Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and Weinan E, DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models, Computer Physics Communications, 2020, 107206. ------------ """)