# Python wrappers on LAMMPS library via ctypes

# for python3 compatibility

from __future__ import print_function

# imports for simple LAMMPS python wrapper module "lammps"

import sys,traceback,types

from ctypes import *

from os.path import dirname,abspath,join

from inspect import getsourcefile

# imports for advanced LAMMPS python wrapper modules "PyLammps" and "IPyLammps"

from collections import namedtuple

import os

import select

class lammps(object):

  # detect if Python is using version of mpi4py that can pass a communicator

  has_mpi4py_v2 = False

    modpath = dirname(abspath(getsourcefile(lambda:0)))

    self.lib = None

    # if a pointer to a LAMMPS object is handed in, all symbols should already be available.

    # if a pointer to a LAMMPS object is handed in,

    # all symbols should already be available

    try:

      if ptr: self.lib = CDLL("",RTLD_GLOBAL)

    except:

      self.lib = None

    # load liblammps.so unless name is given.

    # e.g. if name = "g++", load liblammps_g++.so

    # load liblammps.so unless name is given

    #   if name = "g++", load liblammps_g++.so

    # try loading the LAMMPS shared object from the location

    # of lammps.py with an absolute path (so that LD_LIBRARY_PATH

    # does not need to be set for regular installations.

    # fall back to loading with a relative path, which typically

    # requires LD_LIBRARY_PATH to be set appropriately.

    #   of lammps.py with an absolute path,

    #   so that LD_LIBRARY_PATH does not need to be set for regular install

    # fall back to loading with a relative path,

    #   typically requires LD_LIBRARY_PATH to be set appropriately

    if not self.lib:

      try:

        if not name: self.lib = CDLL(join(modpath,"liblammps.so"),RTLD_GLOBAL)

        else: self.lib = CDLL(join(modpath,"liblammps_%s.so" % name),RTLD_GLOBAL)

        else: self.lib = CDLL(join(modpath,"liblammps_%s.so" % name),

                              RTLD_GLOBAL)

      except:

        if not name: self.lib = CDLL("liblammps.so",RTLD_GLOBAL)

        else: self.lib = CDLL("liblammps_%s.so" % name,RTLD_GLOBAL)

    #   just convert it to ctypes ptr and store in self.lmp

    if not ptr:

      # with mpi4py v2, can pass MPI communicator to LAMMPS

      # need to adjust for type of MPI communicator object

      # allow for int (like MPICH) or void* (like OpenMPI)