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#!/usr/bin/env python
"""
Installer script to install the LAMMPS python package and the corresponding
shared library into either the system-wide site-packages tree, or - failing
that - into the corresponding user tree. Called from the 'install-python'
build target in the conventional and CMake based build systems
"""
# copy LAMMPS shared library and lammps package to system dirs
from __future__ import print_function
import sys,os,shutil,time
from argparse import ArgumentParser
parser = ArgumentParser(prog='install.py',
description='LAMMPS python package installer script')
parser.add_argument("-p", "--package", required=True,
help="path to the LAMMPS Python package")
parser.add_argument("-l", "--lib", required=True,
help="path to the compiled LAMMPS shared library")
parser.add_argument("-v", "--version", required=True,
help="path to the LAMMPS version.h header file")
parser.add_argument("-d","--dir",
help="Legacy custom installation folder selection for package and library")
args = parser.parse_args()
# validate arguments and make paths absolute
if args.package:
if not os.path.exists(args.package):
print( "ERROR: LAMMPS package %s does not exist" % args.package)
parser.print_help()
sys.exit(1)
else:
args.package = os.path.abspath(args.package)
if args.lib:
if not os.path.exists(args.lib):
print( "ERROR: LAMMPS shared library %s does not exist" % args.lib)
parser.print_help()
sys.exit(1)
else:
args.lib = os.path.abspath(args.lib)
if args.version:
if not os.path.exists(args.version):
print( "ERROR: LAMMPS version header file %s does not exist" % args.version)
parser.print_help()
sys.exit(1)
else:
args.version = os.path.abspath(args.version)
if args.dir:
if not os.path.isdir(args.dir):
print( "ERROR: Installation folder %s does not exist" % args.dir)
parser.print_help()
sys.exit(1)
else:
args.dir = os.path.abspath(args.dir)
# if a custom directory is given, we copy the files directly
# without any special processing or additional steps to that folder
if args.dir:
print("Copying LAMMPS Python package to custom folder %s" % args.dir)
try:
shutil.copytree(args.package, os.path.join(args.dir,'lammps'))
except shutil.Error:
pass # fail silently
print("Copying LAMMPS shared library to custom folder %s" % args.dir)
try:
shutil.copyfile(args.lib, os.path.join(args.dir,os.path.basename(args.lib)))
except shutil.Error:
pass # fail silently
sys.exit()
# extract LAMMPS version string from header
# and convert to python packaging compatible version
def get_lammps_version(header):
with open(header, '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)
verstr = get_lammps_version(args.version)
print("Installing LAMMPS Python package version %s into site-packages folder" % verstr)
# we need to switch to the folder of the python package
os.chdir(os.path.dirname(args.package))
from distutils.core import setup
from distutils.sysconfig import get_python_lib
import site
from sys import version_info
if version_info.major >= 3:
pkgs = ['lammps', 'lammps.mliap']
else:
pkgs = ['lammps']
#Arguments common to global or user install -- everything but data_files
setup_kwargs= dict(name="lammps",
version=verstr,
author="Steve Plimpton",
author_email="sjplimp@sandia.gov",
url="https://www.lammps.org",
description="LAMMPS Molecular Dynamics Python package",
license="GPL",
packages=pkgs,
)
tryuser=False
try:
sys.argv = ["setup.py","install"] # as if had run "python setup.py install"
setup_kwargs['data_files']=[(os.path.join(get_python_lib(), 'lammps'), [args.lib])]
setup(**setup_kwargs)
except: # lgtm [py/catch-base-exception]
tryuser=True
print ("Installation into global site-packages folder failed.\nTrying user folder %s now." % site.USER_SITE)
if tryuser:
try:
sys.argv = ["setup.py","install","--user"] # as if had run "python setup.py install --user"
setup_kwargs['data_files']=[(os.path.join(site.USER_SITE, 'lammps'), [args.lib])]
setup(**setup_kwargs)
except: # lgtm [py/catch-base-exception]
print("Installation into user site package folder failed.")
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