# this only installs the LAMMPS python package # it assumes the LAMMPS shared library is already installed from distutils.core import setup from sys import version_info import os,time LAMMPS_PYTHON_DIR = os.path.dirname(os.path.realpath(__file__)) LAMMPS_DIR = os.path.dirname(LAMMPS_PYTHON_DIR) LAMMPS_SOURCE_DIR = os.path.join(LAMMPS_DIR, 'src') def get_lammps_version(): with open(os.path.join(LAMMPS_SOURCE_DIR, 'version.h'), 'r') as f: line = f.readline() start_pos = line.find('"')+1 end_pos = line.find('"', start_pos) t = time.strptime("".join(line[start_pos:end_pos].split()), "%d%b%Y") return "{}.{}.{}".format(t.tm_year,t.tm_mon,t.tm_mday) if version_info.major >= 3: pkgs = ['lammps', 'lammps.mliap'] else: pkgs = ['lammps'] setup( name = "lammps", version = get_lammps_version(), author = "Steve Plimpton", author_email = "sjplimp@sandia.gov", url = "https://www.lammps.org", description = "LAMMPS Molecular Dynamics Python package", license = "GPL", packages=pkgs, )