update install.py script to build a wheel and install that
This commit is contained in:
Axel Kohlmeyer
@ -10,7 +10,7 @@ build target in the conventional and CMake based build systems
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# copy LAMMPS shared library and lammps package to system dirs
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from __future__ import print_function
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import sys,os,shutil,time
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import sys,os,shutil,time,glob
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from argparse import ArgumentParser
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parser = ArgumentParser(prog='install.py',
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@ -20,11 +20,6 @@ parser.add_argument("-p", "--package", required=True,
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help="path to the LAMMPS Python package")
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parser.add_argument("-l", "--lib", required=True,
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help="path to the compiled LAMMPS shared library")
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parser.add_argument("-v", "--version", required=True,
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help="path to the LAMMPS version.h header file")
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parser.add_argument("-d","--dir",
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help="Legacy custom installation folder selection for package and library")
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args = parser.parse_args()
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@ -46,91 +41,31 @@ if args.lib:
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else:
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args.lib = os.path.abspath(args.lib)
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if args.version:
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if not os.path.exists(args.version):
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print( "ERROR: LAMMPS version header file %s does not exist" % args.version)
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parser.print_help()
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sys.exit(1)
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else:
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args.version = os.path.abspath(args.version)
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if args.dir:
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if not os.path.isdir(args.dir):
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print( "ERROR: Installation folder %s does not exist" % args.dir)
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parser.print_help()
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sys.exit(1)
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else:
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args.dir = os.path.abspath(args.dir)
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# if a custom directory is given, we copy the files directly
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# without any special processing or additional steps to that folder
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if args.dir:
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print("Copying LAMMPS Python package to custom folder %s" % args.dir)
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try:
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shutil.copytree(args.package, os.path.join(args.dir,'lammps'))
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except shutil.Error:
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pass # fail silently
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print("Copying LAMMPS shared library to custom folder %s" % args.dir)
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try:
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shutil.copyfile(args.lib, os.path.join(args.dir,os.path.basename(args.lib)))
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except shutil.Error:
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pass # fail silently
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sys.exit()
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# extract LAMMPS version string from header
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# and convert to python packaging compatible version
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def get_lammps_version(header):
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with open(header, '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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verstr = get_lammps_version(args.version)
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print("Installing LAMMPS Python package version %s into site-packages folder" % verstr)
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# we need to switch to the folder of the python package
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olddir = os.path.abspath('.')
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os.chdir(os.path.dirname(args.package))
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from distutils.core import setup
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from distutils.sysconfig import get_python_lib
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import site
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from sys import version_info
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print("Purging existing wheels...")
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for wheel in glob.glob('lammps-*.whl'):
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print("deleting " + wheel)
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os.remove(wheel)
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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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# create virtual environment for building the wheel
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shutil.rmtree('buildwheel',True)
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os.putenv('LAMMPS_SHARED_LIB',args.lib)
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#os.environ['LAMMPS_SHARED_LIB'] = args.lib
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shutil.copy(args.lib,'lammps')
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os.system(sys.executable + ' -m virtualenv buildwheel')
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os.system(sys.executable + ' makewheel.py')
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#Arguments common to global or user install -- everything but data_files
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setup_kwargs= dict(name="lammps",
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version=verstr,
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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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description="LAMMPS Molecular Dynamics Python package",
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license="GPL",
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packages=pkgs,
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)
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# remove temporary folders and files
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shutil.rmtree('buildwheel',True)
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shutil.rmtree('build',True)
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shutil.rmtree('lammps.egg-info',True)
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os.remove(os.path.join('lammps',os.path.basename(args.lib)))
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tryuser=False
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try:
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sys.argv = ["setup.py","install"] # as if had run "python setup.py install"
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setup_kwargs['data_files']=[(os.path.join(get_python_lib(), 'lammps'), [args.lib])]
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setup(**setup_kwargs)
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except: # lgtm [py/catch-base-exception]
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tryuser=True
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print ("Installation into global site-packages folder failed.\nTrying user folder %s now." % site.USER_SITE)
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if tryuser:
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try:
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sys.argv = ["setup.py","install","--user"] # as if had run "python setup.py install --user"
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setup_kwargs['data_files']=[(os.path.join(site.USER_SITE, 'lammps'), [args.lib])]
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setup(**setup_kwargs)
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except: # lgtm [py/catch-base-exception]
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print("Installation into user site package folder failed.")
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print("Installing wheel")
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for wheel in glob.glob('lammps-*.whl'):
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os.system(sys.executable + " -m pip install --force-reinstall " + wheel)
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shutil.copy(wheel, olddir)
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os.remove(wheel)
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