setup.py 16.7 KB
Newer Older
1
#!/usr/bin/env python3
2

3
# Copyright 2011-2015 Kwant authors.
4
#
Christoph Groth's avatar
Christoph Groth committed
5
6
# 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
7
# http://kwant-project.org/license.  A list of Kwant authors can be found in
Christoph Groth's avatar
Christoph Groth committed
8
# the file AUTHORS.rst at the top-level directory of this distribution and at
9
10
# http://kwant-project.org/authors.

11
from __future__ import print_function
Christoph Groth's avatar
Christoph Groth committed
12
13

import sys
14
15

v = sys.version_info
16
17
18
19
if v[:2] < (3, 4):
    error = "This version of Kwant requires Python 3.4 or above.\n"
    if v[0] == 2:
        error += "Kwant 1.1 is the last version to support Python 2."
20
21
22
    print(error, file=sys.stderr)
    sys.exit(1)

23
import re
Christoph Groth's avatar
Christoph Groth committed
24
import os
25
import glob
26
import imp
Christoph Groth's avatar
Christoph Groth committed
27
import subprocess
28
import configparser
29
from setuptools import setup, find_packages, Extension, Command
Christoph Groth's avatar
Christoph Groth committed
30
from sysconfig import get_platform
Christoph Groth's avatar
Christoph Groth committed
31
32
from distutils.errors import DistutilsError, DistutilsModuleError, \
    CCompilerError
33
from distutils.command.build import build
Christoph Groth's avatar
Christoph Groth committed
34
35
from setuptools.command.sdist import sdist
from setuptools.command.build_ext import build_ext
36

37
38
39
40
41
42
try:
    import numpy
except ImportError:
    include_dirs = []
else:
    include_dirs = [numpy.get_include()]
Christoph Groth's avatar
Christoph Groth committed
43

44
45
CONFIG_FILE = 'build.conf'
README_FILE = 'README.rst'
Christoph Groth's avatar
Christoph Groth committed
46
MANIFEST_IN_FILE = 'MANIFEST.in'
47
README_END_BEFORE = 'See also in this directory:'
48
STATIC_VERSION_PATH = ('kwant', '_kwant_version.py')
Christoph Groth's avatar
Christoph Groth committed
49
REQUIRED_CYTHON_VERSION = (0, 22)
50
CYTHON_OPTION = '--cython'
51
52
53
TUT_DIR = 'tutorial'
TUT_GLOB = 'doc/source/tutorial/*.py'
TUT_HIDDEN_PREFIX = '#HIDDEN'
Joseph Weston's avatar
Joseph Weston committed
54
CLASSIFIERS = """\
55
    Development Status :: 5 - Production/Stable
Joseph Weston's avatar
Joseph Weston committed
56
57
58
59
60
61
62
63
64
65
    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"""

66

67
68
69
70
71
72
73
74
75
76
# Let Kwant itself determine its own version.  We cannot simply import kwant, as
# it is not built yet.
_dont_write_bytecode_saved = sys.dont_write_bytecode
sys.dont_write_bytecode = True
_common = imp.load_source('_common', 'kwant/_common.py')
sys.dont_write_bytecode = _dont_write_bytecode_saved

version = _common.version
version_is_from_git = _common.version_is_from_git

Christoph Groth's avatar
Christoph Groth committed
77
try:
78
    sys.argv.remove(CYTHON_OPTION)
79
    use_cython = True
80
except ValueError:
81
    use_cython = version_is_from_git
Christoph Groth's avatar
Christoph Groth committed
82

83
if use_cython:
84
85
    try:
        import Cython
86
87
        from Cython.Build import cythonize
    except ImportError:
88
89
90
91
92
93
94
95
96
97
98
        cython_version = ()
    else:
        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)

99
distr_root = os.path.dirname(os.path.abspath(__file__))
100

101
102
103
def banner(title=''):
    starred = title.center(79, '*')
    return '\n' + starred if title else starred
104

105
error_msg = """{header}
106
107
108
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}}.
109

110
Build configuration was:
111

112
{{summary}}
113
114
115
{sep}
"""
error_msg = error_msg.format(header=banner(' Error '), sep=banner())
Christoph Groth's avatar
Christoph Groth committed
116

Christoph Groth's avatar
Christoph Groth committed
117

Christoph Groth's avatar
Christoph Groth committed
118
119
class kwant_build_ext(build_ext):
    def run(self):
120
121
122
123
124
125
126
127
        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('# Created by setup.py - feel free to modify.\n')

Christoph Groth's avatar
Christoph Groth committed
128
129
130
        try:
            build_ext.run(self)
        except (DistutilsError, CCompilerError):
131
132
            print(error_msg.format(file=CONFIG_FILE, summary=build_summary),
                  file=sys.stderr)
Christoph Groth's avatar
Christoph Groth committed
133
            raise
134
        print(banner(' Build summary '))
135
        print(build_summary)
136
        print(banner())
Christoph Groth's avatar
Christoph Groth committed
137

138

139
class kwant_build_tut(Command):
140
141
142
143
144
145
146
147
148
149
150
151
152
153
    description = "build the tutorial scripts"
    user_options = []

    def initialize_options(self):
        pass

    def finalize_options(self):
        pass

    def run(self):
        if not os.path.exists(TUT_DIR):
            os.mkdir(TUT_DIR)
        for in_fname in glob.glob(TUT_GLOB):
            out_fname = os.path.join(TUT_DIR, os.path.basename(in_fname))
154
155
156
157
158
            with open(in_fname) as in_file:
                with open(out_fname, 'w') as out_file:
                    for line in in_file:
                        if not line.startswith(TUT_HIDDEN_PREFIX):
                            out_file.write(line)
159
160
161
162
163
164


# Our version of the "build" command also makes sure the tutorial is made.
# Even though the tutorial is not necessary for installation, and "build" is
# supposed to make everything needed to install, this is a robust way to ensure
# that the tutorial is present.
165
166
class kwant_build(build):
    sub_commands = [('build_tut', None)] + build.sub_commands
167

168
    def run(self):
169
        build.run(self)
170
171
        write_version(os.path.join(self.build_lib, *STATIC_VERSION_PATH))

172
173

def git_lsfiles():
174
    if not version_is_from_git:
175
176
        return

177
    try:
178
        p = subprocess.Popen(['git', 'ls-files'], cwd=distr_root,
179
180
181
182
183
184
                             stdout=subprocess.PIPE, stderr=subprocess.PIPE)
    except OSError:
        return

    if p.wait() != 0:
        return
Joseph Weston's avatar
Joseph Weston committed
185
    return p.communicate()[0].decode().split('\n')[:-1]
186
187


188
189
190
191
# 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 and the tutorial will be included in the source
# distribution and that they will be up-to-date.
192
193
class kwant_sdist(sdist):
    sub_commands = [('build', None)] + sdist.sub_commands
194
195

    def run(self):
Christoph Groth's avatar
Christoph Groth committed
196
197
198
199
200
201
202
203
204
205
        """
        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 = os.path.join(distr_root, MANIFEST_IN_FILE)
206
207
        names = git_lsfiles()
        if names is None:
Christoph Groth's avatar
Christoph Groth committed
208
209
210
211
            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)
212
213
                exit(1)
        else:
Christoph Groth's avatar
Christoph Groth committed
214
            with open(manifest, 'w') as f:
215
216
217
218
219
                for name in names:
                    a, sep, b = name.rpartition('/')
                    if b == '.gitignore':
                        continue
                    stem, dot, extension = b.rpartition('.')
Christoph Groth's avatar
Christoph Groth committed
220
                    f.write('include {}'.format(name))
221
                    if extension == 'pyx':
Christoph Groth's avatar
Christoph Groth committed
222
223
                        f.write(''.join([' ', a, sep, stem, dot, 'c']))
                    f.write('\n')
224

225
        sdist.run(self)
226
227

        if names is None:
228
            print(banner(' Caution '),
Christoph Groth's avatar
Christoph Groth committed
229
        """Git was not available to generate the list of files to be included in the
230
231
source distribution.  The old {} was used.""".format(MANIFEST_IN_FILE),
                  banner(), sep='\n', file=sys.stderr)
232

233
    def make_release_tree(self, base_dir, files):
234
        sdist.make_release_tree(self, base_dir, files)
235
        write_version(os.path.join(base_dir, *STATIC_VERSION_PATH))
236

Christoph Groth's avatar
Christoph Groth committed
237

238
239
240
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?
241
    try:
242
243
244
245
246
        os.remove(fname)
    except OSError:
        pass
    with open(fname, 'w') as f:
        f.write("# This file has been created by setup.py.\n")
Christoph Groth's avatar
Christoph Groth committed
247
        f.write("version = '{}'\n".format(version))
Christoph Groth's avatar
Christoph Groth committed
248
249


250
251
252
253
254
def long_description():
    text = []
    try:
        with open(README_FILE) as f:
            for line in f:
255
                if line.startswith(README_END_BEFORE):
256
257
                    break
                text.append(line.rstrip())
258
259
            while text[-1] == "":
                text.pop()
260
261
262
263
264
    except:
        return ''
    return '\n'.join(text)


265
266
267
268
269
270
271
272
273
274
275
276
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."""

    libs = ['zmumps_scotch', 'mumps_common_scotch', 'pord', 'mpiseq_scotch',
            'gfortran']

    cmd = ['gcc']
    cmd.extend(['-l' + lib for lib in libs])
    cmd.extend(['-o/dev/null', '-xc', '-'])
Christoph Groth's avatar
Christoph Groth committed
277
    try:
278
        p = subprocess.Popen(cmd, stdin=subprocess.PIPE, stderr=subprocess.PIPE)
Christoph Groth's avatar
Christoph Groth committed
279
280
281
    except OSError:
        pass
    else:
282
        p.communicate(input=b'int main() {}\n')
283
284
        if p.wait() == 0:
            return {'libraries': libs}
Christoph Groth's avatar
Christoph Groth committed
285
286
287
288
    return {}


def extensions():
Christoph Groth's avatar
Christoph Groth committed
289
    """Return a list of tuples (args, kwrds) to be passed to Extension."""
Christoph Groth's avatar
Christoph Groth committed
290

291
    global build_summary, config_file_present
Christoph Groth's avatar
Christoph Groth committed
292
293
    build_summary = []

294
    #### Add components of Kwant without external compile-time dependencies.
Christoph Groth's avatar
Christoph Groth committed
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
    result = [
        (['kwant._system', ['kwant/_system.pyx']],
         {'include_dirs': ['kwant/graph']}),
        (['kwant.graph.core', ['kwant/graph/core.pyx']],
         {'depends': ['kwant/graph/core.pxd', 'kwant/graph/defs.h',
                      'kwant/graph/defs.pxd']}),
        (['kwant.graph.utils', ['kwant/graph/utils.pyx']],
         {'depends': ['kwant/graph/defs.h', 'kwant/graph/defs.pxd',
                      'kwant/graph/core.pxd']}),
        (['kwant.graph.slicer', ['kwant/graph/slicer.pyx',
                                 'kwant/graph/c_slicer/partitioner.cc',
                                 'kwant/graph/c_slicer/slicer.cc']],
         {'depends': ['kwant/graph/defs.h', 'kwant/graph/defs.pxd',
                      'kwant/graph/core.pxd',
                      'kwant/graph/c_slicer.pxd',
                      'kwant/graph/c_slicer/bucket_list.h',
                      'kwant/graph/c_slicer/graphwrap.h',
                      'kwant/graph/c_slicer/partitioner.h',
                      'kwant/graph/c_slicer/slicer.h']})]

315
    #### Add components of Kwant with external compile-time dependencies.
316
    config = configparser.ConfigParser()
Christoph Groth's avatar
Christoph Groth committed
317
318
    try:
        with open(CONFIG_FILE) as f:
319
            config.read_file(f)
Christoph Groth's avatar
Christoph Groth committed
320
    except IOError:
321
322
323
        config_file_present = False
    else:
        config_file_present = True
Christoph Groth's avatar
Christoph Groth committed
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348

    kwrds_by_section = {}
    for section in config.sections():
        kwrds_by_section[section] = kwrds = {}
        for name, value in config.items(section):
            kwrds[name] = value.split()

    # Setup LAPACK.
    lapack = kwrds_by_section.get('lapack')
    if lapack:
        build_summary.append('User-configured LAPACK and BLAS')
    else:
        lapack = {'libraries': ['lapack', 'blas']}
        build_summary.append('Default LAPACK and BLAS')
    kwrds = lapack.copy()
    kwrds.setdefault('depends', []).extend(
        [CONFIG_FILE, 'kwant/linalg/f_lapack.pxd'])
    result.append((['kwant.linalg.lapack', ['kwant/linalg/lapack.pyx']],
                   kwrds))

    # Setup MUMPS.
    kwrds = kwrds_by_section.get('mumps')
    if kwrds:
        build_summary.append('User-configured MUMPS')
    else:
349
        kwrds = search_mumps()
Christoph Groth's avatar
Christoph Groth committed
350
        if kwrds:
351
            build_summary.append('Auto-configured MUMPS')
Christoph Groth's avatar
Christoph Groth committed
352
    if kwrds:
353
        for name, value in lapack.items():
Christoph Groth's avatar
Christoph Groth committed
354
355
356
357
358
359
360
361
362
363
364
365
            kwrds.setdefault(name, []).extend(value)
        kwrds.setdefault('depends', []).extend(
            [CONFIG_FILE, 'kwant/linalg/cmumps.pxd'])
        result.append((['kwant.linalg._mumps', ['kwant/linalg/_mumps.pyx']],
                       kwrds))
    else:
        build_summary.append('No MUMPS support')

    build_summary = '\n'.join(build_summary)
    return result


366
def complain_cython_unavailable():
367
368
    assert not use_cython or cython_version < REQUIRED_CYTHON_VERSION
    if use_cython:
369
370
        msg = ("Install Cython {0} or newer so it can be made\n"
               "or use a source distribution of Kwant.")
371
        ver = '.'.join(str(e) for e in REQUIRED_CYTHON_VERSION)
372
        print(msg.format(ver), file=sys.stderr)
373
    else:
374
        print("Run setup.py with the {} option.".format(CYTHON_OPTION),
375
              file=sys.stderr)
376
377


Christoph Groth's avatar
Christoph Groth committed
378
def ext_modules(extensions):
379
380
381
382
383
    """Prepare the ext_modules argument for setuptools.

    If Cython is not to be run, replace .pyx extensions with .c or .cpp, and
    check timestamps.
    """
384
385
    if use_cython and cython_version >= REQUIRED_CYTHON_VERSION:
        return cythonize([Extension(*args, **kwrds)
Christoph Groth's avatar
Christoph Groth committed
386
                          for args, kwrds in extensions], language_level=3)
387
388
389
390

    # Cython is not going to be run: replace pyx extension by that of
    # the shipped translated file.

Christoph Groth's avatar
Christoph Groth committed
391
    result = []
392
    problematic_files = []
Christoph Groth's avatar
Christoph Groth committed
393
    for args, kwrds in extensions:
394
395
        name, sources = args

396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
        language = kwrds.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)
            exit(1)

        pyx_files = []
        cythonized_files = []
        new_sources = []
        for f in sources:
            if f.endswith('.pyx'):
                pyx_files.append(f)
                f = f.rstrip('.pyx') + ext
                cythonized_files.append(f)
            new_sources.append(f)
        sources = new_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:
            print("error: Cython-generated file {} is missing.".format(f),
                  file=sys.stderr)
            complain_cython_unavailable()
            exit(1)

        for f in pyx_files + kwrds.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)
Christoph Groth's avatar
Christoph Groth committed
435

436
        result.append(Extension(name, sources, **kwrds))
Christoph Groth's avatar
Christoph Groth committed
437

438
439
440
    if problematic_files:
        problematic_files = ", ".join(problematic_files)
        msg = ("Some Cython source files are newer than files that should have\n"
441
               "been derived from them, but {}.\n"
442
443
               "\n"
               "Affected files: {}")
444
        if use_cython:
445
446
447
448
449
450
451
452
453
454
            if not cython_version:
                reason = "Cython is not installed"
            else:
                reason = "the installed Cython is too old"
            print(banner(" Error "), msg.format(reason, problematic_files),
                  banner(), sep="\n", file=sys.stderr)
            print()
            complain_cython_unavailable()
            exit(1)
        else:
455
456
457
458
459
            reason = "the option {} has not been given".format(CYTHON_OPTION)
            dontworry = ('(Do not worry about this if you are building Kwant\n'
                         'from unmodified sources, e.g. with "pip install".)\n')
            print(banner(" Caution "), dontworry,
                  msg.format(reason, problematic_files),
460
461
                  banner(), sep='\n', file=sys.stderr)

Christoph Groth's avatar
Christoph Groth committed
462
463
    return result

464

Christoph Groth's avatar
Christoph Groth committed
465
466
def main():
    setup(name='kwant',
467
          version=version,
468
469
          author='C. W. Groth (CEA), M. Wimmer, '
                 'A. R. Akhmerov, X. Waintal (CEA), and others',
470
          author_email='authors@kwant-project.org',
Christoph Groth's avatar
Christoph Groth committed
471
          description="Package for numerical quantum transport calculations.",
472
473
          long_description=long_description(),
          platforms=["Unix", "Linux", "Mac OS-X", "Windows"],
474
475
          url="http://kwant-project.org/",
          license="BSD",
476
          packages=find_packages('.'),
Christoph Groth's avatar
Christoph Groth committed
477
          test_suite = 'nose.collector',
478
          cmdclass={'build': kwant_build,
479
                    'sdist': kwant_sdist,
480
                    'build_ext': kwant_build_ext,
Christoph Groth's avatar
Christoph Groth committed
481
                    'build_tut': kwant_build_tut},
Christoph Groth's avatar
Christoph Groth committed
482
          ext_modules=ext_modules(extensions()),
483
          include_dirs=include_dirs,
Christoph Groth's avatar
Christoph Groth committed
484
485
          setup_requires=['numpy > 1.6.1', 'nose >= 1.0'],
          install_requires=['numpy > 1.6.1', 'scipy >= 0.9', 'tinyarray'],
Joseph Weston's avatar
Joseph Weston committed
486
487
          extras_require={'plotting': 'matplotlib >= 1.2'},
          classifiers=[c.strip() for c in CLASSIFIERS.split('\n')])
488

Christoph Groth's avatar
Christoph Groth committed
489
490
if __name__ == '__main__':
    main()