#!/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 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 version string from header 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) return "".join(line[start_pos:end_pos].split()) 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://lammps.sandia.gov", 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: 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: print("Installation into user site package folder failed.")