Homec4science
Diffusion lammps (lammm-master) Browse

lammps/python/install.py
a394d1b4362elammm-master

Last Change
Raw File

install.py
View Options

#!/usr/bin/env python
# copy LAMMPS src/liblammps.so and lammps.py to system dirs
from __future__ import print_function
instructions = """
Syntax: python install.py [-h] [pydir]
pydir = target dir for lammps.py and liblammps.so
default = Python site-packages dir
"""
import sys,os,shutil
if (len(sys.argv) > 1 and sys.argv[1] == "-h") or len(sys.argv) > 2:
print(instructions)
sys.exit()
if len(sys.argv) == 2: pydir = sys.argv[1]
else: pydir = ""
# copy lammps.py to pydir if it exists
# if pydir not specified, install in site-packages via distutils setup()
if pydir:
if not os.path.isdir(pydir):
print( "ERROR: pydir %s does not exist" % pydir)
sys.exit()
str = "cp ../python/lammps.py %s" % pydir
print(str)
try:
shutil.copyfile("../python/lammps.py", os.path.join(pydir,'lammps.py') )
except shutil.Error:
pass # source and destination are identical
str = "cp ../src/liblammps.so %s" % pydir
print(str)
try:
shutil.copyfile("../src/liblammps.so", os.path.join(pydir,"liblammps.so") )
except shutil.Error:
pass # source and destination are identical
sys.exit()
print("installing lammps.py in Python site-packages dir")
os.chdir('../python') # in case invoked via make in src dir
# extract version string from header
fp = open('../src/version.h','r')
txt=fp.read().split('"')[1].split()
verstr=txt[0]+txt[1]+txt[2]
fp.close()
from distutils.core import setup
from distutils.sysconfig import get_python_lib
import site
tryuser=False
try:
sys.argv = ["setup.py","install"] # as if had run "python setup.py install"
setup(name = "lammps",
version = verstr,
author = "Steve Plimpton",
author_email = "sjplimp@sandia.gov",
url = "http://lammps.sandia.gov",
description = "LAMMPS molecular dynamics library",
py_modules = ["lammps"],
data_files = [(get_python_lib(), ["../src/liblammps.so"])])
except:
tryuser=True
print ("Installation into global site-packages dir failed.\nTrying user site dir %s now." % site.USER_SITE)
if tryuser:
try:
sys.argv = ["setup.py","install","--user"] # as if had run "python setup.py install --user"
setup(name = "lammps",
version = verstr,
author = "Steve Plimpton",
author_email = "sjplimp@sandia.gov",
url = "http://lammps.sandia.gov",
description = "LAMMPS molecular dynamics library",
py_modules = ["lammps"],
data_files = [(site.USER_SITE, ["../src/liblammps.so"])])
except:
print("Installation into user site package dir failed.\nGo to ../python and install manually.")
c4science · Help