forked from lijiext/lammps
161 lines
6.2 KiB
Python
161 lines
6.2 KiB
Python
#!/usr/bin/env python
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"""
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Script to build a "binary wheel" for the 'pip' Python package manager for
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the LAMMPS python module which includes the shared library file. After a
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successful build the script attempts to install the wheel into a system
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specific site-packages folder or - failing that - into the corresponding
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user site-packages folder. Called from the 'install-python' build target
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in the GNU make and CMake based build systems. Can also be called
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independently and used to build the wheel without installing it.
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"""
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from __future__ import print_function
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import sys, os, shutil, glob, subprocess
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from argparse import ArgumentParser
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parser = ArgumentParser(prog='install.py',
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description='LAMMPS python package installer script')
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parser.add_argument("-p", "--package", required=True,
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help="path to the LAMMPS Python package folder")
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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("-n", "--noinstall", action="store_true", default=False,
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help="only build a binary wheel. Don't attempt to install it")
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parser.add_argument("-w", "--wheeldir", required=False,
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help="path to a directory where the created wheel will be stored")
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parser.add_argument("-v", "--versionfile", required=True,
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help="path to the LAMMPS version.h source file")
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args = parser.parse_args()
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# validate arguments and make paths absolute
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if args.package:
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if not os.path.exists(args.package):
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print("\nERROR: LAMMPS package folder %s does not exist\n" % args.package)
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parser.print_help()
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sys.exit(1)
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else:
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args.package = os.path.abspath(args.package)
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if ((os.path.basename(args.package) != "lammps")
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and ((os.path.basename(os.path.dirname(args.package)) != "python"))):
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print("\nERROR: LAMMPS package folder path %s does not end in %s\n"
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% (args.package, os.path.join("python", "lammps")))
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parser.print_help()
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sys.exit(1)
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if args.lib:
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if not os.path.exists(args.lib):
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print("\nERROR: LAMMPS shared library %s does not exist\n" % args.lib)
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parser.print_help()
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sys.exit(1)
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else:
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args.lib = os.path.abspath(args.lib)
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if args.wheeldir:
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if not os.path.exists(args.wheeldir):
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print("\nERROR: directory %s to store the wheel does not exist\n" % args.wheeldir)
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parser.print_help()
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sys.exit(1)
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else:
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args.wheeldir = os.path.abspath(args.wheeldir)
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if args.versionfile:
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if not os.path.exists(args.versionfile):
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print("\nERROR: LAMMPS version file at %s does not exist\n" % args.versionfile)
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parser.print_help()
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sys.exit(1)
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else:
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args.versionfile = os.path.abspath(args.versionfile)
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olddir = os.path.abspath('.')
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pythondir = os.path.abspath(os.path.join(args.package,'..'))
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os.putenv('LAMMPS_VERSION_FILE',os.path.abspath(args.versionfile))
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# purge old build folder
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if os.path.isdir(os.path.join(olddir, 'build-python')):
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print("Cleaning old build directory")
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shutil.rmtree(os.path.join(olddir, 'build-python'))
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# remove any old wheel files left over from previous calls
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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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# copy python tree to build folder
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builddir = shutil.copytree(pythondir, os.path.join(olddir, 'build-python'))
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os.chdir(builddir)
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# copy shared object to the current folder so that
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# it will show up in the installation at the expected location
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os.putenv('LAMMPS_SHARED_LIB',os.path.basename(args.lib))
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shutil.copy(args.lib,'lammps')
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# create a virtual environment for building the wheel
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shutil.rmtree('buildwheel', True)
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try:
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txt = subprocess.check_output([sys.executable, '-m', 'venv', 'buildwheel'], stderr=subprocess.STDOUT, shell=False)
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print(txt.decode('UTF-8'))
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except subprocess.CalledProcessError as err:
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sys.exit("Failed to create a virtual environment: {0}".format(err.output.decode('UTF-8')))
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# now run the commands to build the wheel. those must be in a separate script
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# and run in subprocess, since this will use the virtual environment and
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# there is no simple way to return from that in python.
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os.system(sys.executable + ' makewheel.py')
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# copy wheel to final location
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for wheel in glob.glob('lammps-*.whl'):
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if args.wheeldir:
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shutil.copy(wheel, args.wheeldir)
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else:
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shutil.copy(wheel, olddir)
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# remove temporary folders and files
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os.chdir(olddir)
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shutil.rmtree('build-python', True)
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# stop here if we were asked not to install the wheel we created
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if args.noinstall:
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exit(0)
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# install the wheel with pip. first try to install in the default environment.
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# that will be a virtual environment, if active, or the system folder.
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# if in a virtual environment, we must not use the python executable
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# that is running this script (configured by cmake), but use "python"
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# from the regular system path. The user may have changed to the virtual
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# environment *after* running cmake.
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# recent versions of pip will automatically drop to use the user folder
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# in case the system folder is not writable.
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# we use a subprocess so we can catch an exception on failure.
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# we need to check whether pip refused to install because of a
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# version of the module previously installed with distutils. those
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# must be uninstalled manually. We must not ignore this and drop
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# back to install into a (forced) user folder.
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if "VIRTUAL_ENV" in os.environ:
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print("Installing wheel into virtual environment")
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py_exe = 'python'
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else:
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print("Installing wheel into system site-packages folder")
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py_exe = sys.executable
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try:
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txt = subprocess.check_output([py_exe, '-m', 'pip', 'install', '--force-reinstall', wheel], stderr=subprocess.STDOUT, shell=False)
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print(txt.decode('UTF-8'))
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sys.exit(0)
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except subprocess.CalledProcessError as err:
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errmsg = err.output.decode('UTF-8')
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if errmsg.find("distutils installed"):
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sys.exit(errmsg + "You need to uninstall the LAMMPS python module manually first.\n")
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try:
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print('Installing wheel into system site-packages folder failed. Trying user folder now')
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txt = subprocess.check_output([sys.executable, '-m', 'pip', 'install', '--user', '--force-reinstall', wheel], stderr=subprocess.STDOUT, shell=False)
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print(txt.decode('UTF-8'))
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except:
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sys.exit('Failed to install wheel ' + wheel)
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