71 lines
2.3 KiB
Python
71 lines
2.3 KiB
Python
# this only installs the LAMMPS python package
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# it assumes the LAMMPS shared library is already installed
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from setuptools import setup
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from setuptools.dist import Distribution
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from sys import version_info
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import os,time
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LAMMPS_PYTHON_DIR = os.path.dirname(os.path.realpath(__file__))
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LAMMPS_DIR = os.path.dirname(LAMMPS_PYTHON_DIR)
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LAMMPS_SOURCE_DIR = os.path.join(LAMMPS_DIR, 'src')
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if not os.path.exists(LAMMPS_SOURCE_DIR):
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# allows installing and building wheel from current directory
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LAMMPS_DIR = os.path.realpath(os.path.join(os.environ['PWD'], '..'))
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LAMMPS_SOURCE_DIR = os.path.join(LAMMPS_DIR, 'src')
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def get_lammps_version():
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version_h_file = os.path.join(LAMMPS_SOURCE_DIR, 'version.h')
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with open(version_h_file, 'r') as f:
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line = f.readline()
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start_pos = line.find('"')+1
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end_pos = line.find('"', start_pos)
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t = time.strptime("".join(line[start_pos:end_pos].split()), "%d%b%Y")
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return "{}.{}.{}".format(t.tm_year,t.tm_mon,t.tm_mday)
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class BinaryDistribution(Distribution):
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"""Wrapper to enforce creating a binary package"""
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def has_ext_modules(foo):
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return True
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libpath = os.environ.get("LAMMPS_SHARED_LIB")
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if version_info.major >= 3:
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pkgs = ['lammps', 'lammps.mliap']
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else:
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pkgs = ['lammps']
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with open("README", "r", encoding="utf-8") as fh:
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long_description = fh.read()
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if libpath:
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pkgdata = {'lammps': [ libpath ]}
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bdist = BinaryDistribution
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else:
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pkgdata = {}
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bdist = Distribution
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setup(
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name = "lammps",
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version = get_lammps_version(),
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author = "Steve Plimpton",
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author_email = "sjplimp@sandia.gov",
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url = "https://www.lammps.org",
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project_urls = {
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"Bug Tracker": "https://github.com/lammps/lammps/issues",
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},
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description = "LAMMPS Molecular Dynamics Python package",
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long_description = long_description,
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long_description_content_type = "text/plain",
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classifiers = [
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"Programming Language :: Python :: 3",
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"Development Status :: 5 - Production/Stable",
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"Environment :: Console",
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"License :: OSI Approved :: GNU General Public License v2 (GPLv2)",
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"Operating System :: OS Independent",
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],
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license = "GPL",
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packages = pkgs,
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package_data = pkgdata,
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distclass = bdist,
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)
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