#!/usr/bin/env python3 # Copyright 2011-2018 Kwant authors. # # This file is part of Kwant. It is subject to the license terms in the file # LICENSE.rst found in the top-level directory of this distribution and at # http://kwant-project.org/license. A list of Kwant authors can be found in # the file AUTHORS.rst at the top-level directory of this distribution and at # http://kwant-project.org/authors. from __future__ import print_function import sys import re import os import glob import importlib import subprocess import configparser import collections from setuptools import setup, find_packages, Extension, Command from distutils.errors import DistutilsError, CCompilerError from distutils.command.build import build as build_orig from setuptools.command.sdist import sdist as sdist_orig from setuptools.command.build_ext import build_ext as build_ext_orig from setuptools.command.test import test as test_orig STATIC_VERSION_PATH = ('kwant', '_kwant_version.py') distr_root = os.path.dirname(os.path.abspath(__file__)) def configure_extensions(exts, aliases=(), build_summary=None): """Modify extension configuration according to the configuration file `exts` must be a dict of (name, kwargs) tuples that can be used like this: `Extension(name, **kwargs). This function modifies the kwargs according to the configuration file. This function modifies `sys.argv`. """ global config_file, config_file_present #### Determine the name of the configuration file. config_file_option = '--configfile' config_file_option_present = False # Handle command line option for i, opt in enumerate(sys.argv): if not opt.startswith(config_file_option): continue config_file_option_present = True l, _, config_file = opt.partition('=') if l != config_file_option or not config_file: print('Error: Expecting {}=PATH'.format(config_file_option), file=sys.stderr) sys.exit(1) sys.argv.pop(i) break else: config_file = 'build.conf' #### Read build configuration file. configs = configparser.ConfigParser() try: with open(config_file) as f: configs.read_file(f) except IOError: config_file_present = False if config_file_option_present: print("Error: '{}' option was provided, but '{}' does not exist" .format(config_file_option, config_file)) sys.exit(1) else: config_file_present = True #### Handle section aliases. for short, long in aliases: if short in configs: if long in configs: print('Error: both {} and {} sections present in {}.'.format( short, long, config_file)) sys.exit(1) configs[long] = configs[short] del configs[short] #### Apply config from file. Use [DEFAULT] section for missing sections. defaultconfig = configs.defaults() for name, kwargs in exts.items(): config = configs[name] if name in configs else defaultconfig for key, value in config.items(): # Most, but not all, keys are lists of strings if key == 'language': pass elif key == 'optional': value = bool(int(value)) else: value = value.split() if key == 'define_macros': value = [tuple(entry.split('=', maxsplit=1)) for entry in value] value = [(entry[0], None) if len(entry) == 1 else entry for entry in value] if key in kwargs: msg = 'Caution: user config in file {} shadows {}.{}.' if build_summary is not None: build_summary.append(msg.format(config_file, name, key)) kwargs[key] = value kwargs.setdefault('depends', []).append(config_file) if config is not defaultconfig: del configs[name] unknown_sections = configs.sections() if unknown_sections: print('Error: Unknown sections in file {}: {}'.format( config_file, ', '.join(unknown_sections))) sys.exit(1) return exts def check_python_version(min_version): installed_version = sys.version_info[:3] if installed_version < min_version: print('Error: Python {} required, but {} is installed'.format( '.'.join(map(str, min_version)), '.'.join(map(str, installed_version))) ) sys.exit(1) def check_versions(): global version, version_is_from_git # Let Kwant itself determine its own version. We cannot simply import # kwant, as it is not built yet. spec = importlib.util.spec_from_file_location('version', 'kwant/version.py') version_module = importlib.util.module_from_spec(spec) spec.loader.exec_module(version_module) version_module.ensure_python() version = version_module.version version_is_from_git = version_module.version_is_from_git def init_cython(): """Set the global variable `cythonize` (and other related globals). The variable `cythonize` can be in three states: * If Cython should be run and is ready, it contains the `cythonize()` function. * If Cython is not to be run, it contains `False`. * If Cython should, but cannot be run it contains `None`. A help message on how to solve the problem is stored in `cython_help`. This function modifies `sys.argv`. """ global cythonize, cython_help cython_option = '--cython' required_cython_version = (0, 24) try: sys.argv.remove(cython_option) cythonize = True except ValueError: cythonize = version_is_from_git if cythonize: try: import Cython from Cython.Build import cythonize except ImportError: cythonize = None else: #### Get Cython version. match = re.match('([0-9.]*)(.*)', Cython.__version__) cython_version = [int(n) for n in match.group(1).split('.')] # Decrease version if the version string contains a suffix. if match.group(2): while cython_version[-1] == 0: cython_version.pop() cython_version[-1] -= 1 cython_version = tuple(cython_version) if cython_version < required_cython_version: cythonize = None if cythonize is None: msg = ("Install Cython >= {0} or use" " a source distribution (tarball) of Kwant.") ver = '.'.join(str(e) for e in required_cython_version) cython_help = msg.format(ver) else: msg = "Run setup.py with the {} option to enable Cython." cython_help = msg.format(cython_option) def banner(title=''): starred = title.center(79, '*') return '\n' + starred if title else starred class build_ext(build_ext_orig): def run(self): if not config_file_present: # Create an empty config file if none is present so that the # extensions will not be rebuilt each time. Only depending on the # config file if it is present would make it impossible to detect a # necessary rebuild due to a deleted config file. with open(config_file, 'w') as f: f.write('# Build configuration created by setup.py ' '- feel free to modify.\n') try: super().run() except (DistutilsError, CCompilerError): error_msg = self.__error_msg.format( header=banner(' Error '), sep=banner()) print(error_msg.format(file=config_file, summary=build_summary), file=sys.stderr) raise print(banner(' Build summary '), *build_summary, sep='\n') print(banner()) __error_msg = """{header} The compilation of Kwant has failed. Please examine the error message above and consult the installation instructions in README.rst. You might have to customize {{file}}. Build configuration was: {{summary}} {sep} """ class build(build_orig): def run(self): super().run() write_version(os.path.join(self.build_lib, *STATIC_VERSION_PATH)) def git_lsfiles(): if not version_is_from_git: return try: p = subprocess.Popen(['git', 'ls-files'], cwd=distr_root, stdout=subprocess.PIPE, stderr=subprocess.PIPE) except OSError: return if p.wait() != 0: return return p.communicate()[0].decode().split('\n')[:-1] # Make the command "sdist" depend on "build". This verifies that the # distribution in the current state actually builds. It also makes sure that # the Cython-made C files will be up-to-date and included in the source. class sdist(sdist_orig): sub_commands = [('build', None)] + sdist_orig.sub_commands def run(self): """Create MANIFEST.in from git if possible, otherwise check that MANIFEST.in is present. Right now (2015) generating MANIFEST.in seems to be the only way to include files in the source distribution that setuptools does not think should be there. Setting include_package_data to True makes setuptools include *.pyx and other source files in the binary distribution. """ manifest_in_file = 'MANIFEST.in' manifest = os.path.join(distr_root, manifest_in_file) names = git_lsfiles() if names is None: if not (os.path.isfile(manifest) and os.access(manifest, os.R_OK)): print("Error:", manifest_in_file, "file is missing and Git is not available" " to regenerate it.", file=sys.stderr) sys.exit(1) else: with open(manifest, 'w') as f: for name in names: a, sep, b = name.rpartition('/') if b == '.gitignore': continue stem, dot, extension = b.rpartition('.') f.write('include {}'.format(name)) if extension == 'pyx': f.write(''.join([' ', a, sep, stem, dot, 'c'])) f.write('\n') super().run() if names is None: msg = ("Git was not available to generate the list of files to be " "included in the\nsource distribution. The old {} was used.") msg = msg.format(manifest_in_file) print(banner(' Caution '), msg, banner(), sep='\n', file=sys.stderr) def make_release_tree(self, base_dir, files): super().make_release_tree(base_dir, files) write_version(os.path.join(base_dir, *STATIC_VERSION_PATH)) # The following class is based on a recipe in # http://doc.pytest.org/en/latest/goodpractices.html#manual-integration. class test(test_orig): user_options = [('pytest-args=', 'a', "Arguments to pass to pytest")] def initialize_options(self): super().initialize_options() self.pytest_args = '' def run_tests(self): import shlex try: import pytest except: print('The Python package "pytest" is required to run tests.', file=sys.stderr) sys.exit(1) errno = pytest.main(shlex.split(self.pytest_args)) sys.exit(errno) def write_version(fname): # This could be a hard link, so try to delete it first. Is there any way # to do this atomically together with opening? try: os.remove(fname) except OSError: pass with open(fname, 'w') as f: f.write("# This file has been created by setup.py.\n") f.write("version = '{}'\n".format(version)) def long_description(): text = [] try: with open('README.rst', encoding='utf8') as f: for line in f: if line.startswith('See also in this directory:'): break text.append(line.rstrip()) while text[-1] == "": text.pop() except: return '' return '\n'.join(text) def search_libs(libs): cmd = ['gcc'] cmd.extend(['-l' + lib for lib in libs]) cmd.extend(['-o/dev/null', '-xc', '-']) try: p = subprocess.Popen(cmd, stdin=subprocess.PIPE, stderr=subprocess.PIPE) except OSError: pass else: p.communicate(input=b'int main() {}\n') if p.wait() == 0: return libs def search_mumps(): """Return the configuration for MUMPS if it is available in a known way. This is known to work with the MUMPS provided by the Debian package libmumps-scotch-dev and the MUMPS binaries in the conda-forge channel.""" lib_sets = [ # Debian ['zmumps_scotch', 'mumps_common_scotch', 'mpiseq_scotch', 'pord', 'gfortran'], # Conda (via conda-forge). ['zmumps_seq', 'mumps_common_seq'], ] for libs in lib_sets: found_libs = search_libs(libs) if found_libs: return found_libs return [] def configure_special_extensions(exts, build_summary): #### Special config for MUMPS. mumps = exts['kwant.linalg._mumps'] if 'libraries' in mumps: build_summary.append('User-configured MUMPS') else: mumps_libs = search_mumps() if mumps_libs: mumps['libraries'] = mumps_libs build_summary.append('Auto-configured MUMPS') else: mumps = None del exts['kwant.linalg._mumps'] build_summary.append('No MUMPS support') return exts def maybe_cythonize(exts): """Prepare a list of `Extension` instances, ready for `setup()`. The argument `exts` must be a mapping of names to kwargs to be passed on to `Extension`. If Cython is to be run, create the extensions and calls `cythonize()` on them. If Cython is not to be run, replace .pyx file with .c or .cpp, check timestamps, and create the extensions. """ if cythonize: return cythonize([Extension(name, **kwargs) for name, kwargs in exts.items()], language_level=3, compiler_directives={'linetrace': True}) # Cython is not going to be run: replace pyx extension by that of # the shipped translated file. result = [] problematic_files = [] for name, kwargs in exts.items(): language = kwargs.get('language') if language is None: ext = '.c' elif language == 'c': ext = '.c' elif language == 'c++': ext = '.cpp' else: print('Unknown language: {}'.format(language), file=sys.stderr) sys.exit(1) pyx_files = [] cythonized_files = [] sources = [] for f in kwargs['sources']: if f.endswith('.pyx'): pyx_files.append(f) f = f.rstrip('.pyx') + ext cythonized_files.append(f) sources.append(f) kwargs['sources'] = sources # Complain if cythonized files are older than Cython source files. try: cythonized_oldest = min(os.stat(f).st_mtime for f in cythonized_files) except OSError: msg = "Cython-generated file {} is missing." print(banner(" Error "), msg.format(f), "", cython_help, banner(), sep="\n", file=sys.stderr) sys.exit(1) for f in pyx_files + kwargs.get('depends', []): if f == config_file: # The config file is only a dependency for the compilation # of the cythonized file, not for the cythonization. continue if os.stat(f).st_mtime > cythonized_oldest: problematic_files.append(f) result.append(Extension(name, **kwargs)) if problematic_files: msg = ("Some Cython source files are newer than files that have " "been derived from them:\n{}") msg = msg.format(", ".join(problematic_files)) # Cython should be run but won't. Signal an error if this is because # Cython *cannot* be run, warn otherwise. error = cythonize is None if cythonize is False: dontworry = ('(Do not worry about this if you are building Kwant ' 'from unmodified sources,\n' 'e.g. with "pip install".)\n\n') msg = dontworry + msg print(banner(" Error " if error else " Caution "), msg, "", cython_help, banner(), sep="\n", file=sys.stderr) if error: sys.exit(1) return result def maybe_add_numpy_include(exts): # Add NumPy header path to include_dirs of all the extensions. try: import numpy except ImportError: print(banner(' Caution '), 'NumPy header directory cannot be determined' ' ("import numpy" failed).', banner(), sep='\n', file=sys.stderr) else: numpy_include = numpy.get_include() for ext in exts.values(): ext.setdefault('include_dirs', []).append(numpy_include) return exts def main(): check_python_version((3, 6)) check_versions() exts = collections.OrderedDict([ ('kwant._system', dict(sources=['kwant/_system.pyx'], include_dirs=['kwant/graph'])), ('kwant.operator', dict(sources=['kwant/operator.pyx'], include_dirs=['kwant/graph'])), ('kwant.graph.core', dict(sources=['kwant/graph/core.pyx'], depends=['kwant/graph/core.pxd', 'kwant/graph/defs.h', 'kwant/graph/defs.pxd'])), ('kwant.graph.dijkstra', dict(sources=['kwant/graph/dijkstra.pyx'])), ('kwant.linalg.lapack', dict(sources=['kwant/linalg/lapack.pyx'])), ('kwant.linalg._mumps', dict(sources=['kwant/linalg/_mumps.pyx'], depends=['kwant/linalg/cmumps.pxd']))]) aliases = [('mumps', 'kwant.linalg._mumps')] init_cython() global build_summary build_summary = [] exts = configure_extensions(exts, aliases, build_summary) exts = configure_special_extensions(exts, build_summary) exts = maybe_add_numpy_include(exts) exts = maybe_cythonize(exts) classifiers = """\ Development Status :: 5 - Production/Stable Intended Audience :: Science/Research Intended Audience :: Developers Programming Language :: Python :: 3 :: Only Topic :: Software Development Topic :: Scientific/Engineering Operating System :: POSIX Operating System :: Unix Operating System :: MacOS :: MacOS X Operating System :: Microsoft :: Windows""" packages = find_packages('.') setup(name='kwant', version=version, author='C. W. Groth (CEA), M. Wimmer, ' 'A. R. Akhmerov, X. Waintal (CEA), and others', author_email='authors@kwant-project.org', description=("Package for numerical quantum transport calculations " "(Python 3 version)"), long_description=long_description(), platforms=["Unix", "Linux", "Mac OS-X", "Windows"], url="http://kwant-project.org/", license="BSD", packages=packages, package_data={p: ['*.pxd', '*.h'] for p in packages}, cmdclass={'build': build, 'sdist': sdist, 'build_ext': build_ext, 'test': test}, ext_modules=exts, install_requires=['numpy >= 1.13.3', 'scipy >= 0.19.1', 'tinyarray >= 1.2'], extras_require={ # The oldest versions between: Debian stable, Ubuntu LTS 'plotting': ['matplotlib >= 2.1.1', 'plotly >= 2.2.2'], 'continuum': 'sympy >= 1.1.1', # qsymm is only packaged on PyPI 'qsymm': 'qsymm >= 1.2.6', }, classifiers=[c.strip() for c in classifiers.split('\n')]) if __name__ == '__main__': main()