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# this only installs the LAMMPS python package
# it assumes the LAMMPS shared library is already installed
from setuptools import setup
from setuptools.dist import Distribution
from sys import version_info
import os,time
versionfile = os.environ.get("LAMMPS_VERSION_FILE")
if not versionfile:
# allows installing and building wheel from current directory
LAMMPS_DIR = os.path.realpath(os.path.join(os.environ['PWD'], '..'))
versionfile = os.path.join(LAMMPS_DIR, 'src', 'version.h')
def get_lammps_version():
version_h_file = os.path.join(versionfile)
with open(version_h_file, '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)
class BinaryDistribution(Distribution):
"""Wrapper to enforce creating a binary package"""
def has_ext_modules(self):
return True
if version_info.major >= 3:
pkgs = ['lammps', 'lammps.mliap', 'lammps.ipython']
else:
pkgs = ['lammps']
with open("README", "r") as fh:
long_description = fh.read()
libname = os.environ.get("LAMMPS_SHARED_LIB")
if libname:
pkgdata = {'lammps': [ libname ]}
bdist = BinaryDistribution
else:
pkgdata = {}
bdist = Distribution
setup(
name = "lammps",
version = get_lammps_version(),
license = "GPL-2.0-only",
author = "The LAMMPS Developers",
author_email = "developers@lammps.org",
url = "https://www.lammps.org",
project_urls = {
"Bug Tracker": "https://github.com/lammps/lammps/issues",
},
description = "LAMMPS Molecular Dynamics Python package",
long_description = long_description,
long_description_content_type = "text/plain",
classifiers = [
"Programming Language :: Python :: 3",
"Development Status :: 5 - Production/Stable",
"Environment :: Console",
"Operating System :: OS Independent",
],
packages = pkgs,
package_data = pkgdata,
distclass = bdist,
python_requires = '>=3.6',
)
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