setup.py 16.8 KB
Newer Older
1
2
#!/usr/bin/env python

3
# Copyright 2011-2013 Kwant authors.
4
#
5
# This file is part of Kwant.  It is subject to the license terms in the
6
# LICENSE file 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
8
9
10
# the AUTHORS file at the top-level directory of this distribution and at
# http://kwant-project.org/authors.

Christoph Groth's avatar
Christoph Groth committed
11
CONFIG_FILE = 'build.conf'
12
README_FILE = 'README.rst'
13
README_END_BEFORE = 'See also in this directory:'
Christoph Groth's avatar
Christoph Groth committed
14
15
16
STATIC_VERSION_FILE = 'kwant/_static_version.py'
REQUIRED_CYTHON_VERSION = (0, 17, 1)
NO_CYTHON_OPTION = '--no-cython'
17
18
19
TUT_DIR = 'tutorial'
TUT_GLOB = 'doc/source/tutorial/*.py'
TUT_HIDDEN_PREFIX = '#HIDDEN'
Christoph Groth's avatar
Christoph Groth committed
20
21

import sys
22
import re
Christoph Groth's avatar
Christoph Groth committed
23
import os
24
import glob
Christoph Groth's avatar
Christoph Groth committed
25
26
import subprocess
import ConfigParser
Christoph Groth's avatar
Christoph Groth committed
27
28
29
30
from distutils.core import setup, Extension, Command
from distutils.util import get_platform
from distutils.errors import DistutilsError, DistutilsModuleError, \
    CCompilerError
31
from distutils.command.build import build as distutils_build
32
from distutils.command.sdist import sdist as distutils_sdist
Christoph Groth's avatar
Christoph Groth committed
33
34
35
36
37
38
39
import numpy

try:
    import Cython
except:
    cython_version = ()
else:
40
41
42
43
44
45
46
47
    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)
48

Christoph Groth's avatar
Christoph Groth committed
49
50
51
52
53
54
55
try:
    sys.argv.remove(NO_CYTHON_OPTION)
    cythonize = False
except ValueError:
    cythonize = True

if cythonize and cython_version:
56
57
    from Cython.Distutils import build_ext
else:
Christoph Groth's avatar
Christoph Groth committed
58
59
    from distutils.command.build_ext import build_ext

60
distr_root = os.path.dirname(os.path.abspath(__file__))
61

Christoph Groth's avatar
Christoph Groth committed
62
63
64

class kwant_build_ext(build_ext):
    def run(self):
65
66
67
68
69
70
71
72
        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
73
74
75
76
77
        try:
            build_ext.run(self)
        except (DistutilsError, CCompilerError):
            print >>sys.stderr, \
"""{0}
78
The compilation of Kwant has failed.  Please examine the error message
79
above and consult the installation instructions in README.rst.
Christoph Groth's avatar
Christoph Groth committed
80
81
82
83
84
85
86
87
88
You might have to customize {1}.
{0}
Build configuration was:
{2}
{0}""".format('*' * 70, CONFIG_FILE, build_summary)
            raise
        print '**************** Build summary ****************'
        print build_summary

89

90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
class build_tut(Command):
    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))
105
106
107
108
109
            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)
110
111
112
113
114
115
116
117


# 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.
class kwant_build(distutils_build):
    sub_commands = [('build_tut', None)] + distutils_build.sub_commands
118
119


Christoph Groth's avatar
Christoph Groth committed
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
class test(Command):
    description = "build, then run the unit tests"
    user_options = []

    def initialize_options(self):
        pass

    def finalize_options(self):
        pass

    def run(self):
        try:
            from nose.core import run
        except ImportError:
            raise DistutilsModuleError('nose <http://nose.readthedocs.org/> '
                                       'is needed to run the tests')
        self.run_command('build')
        major, minor = sys.version_info[:2]
        lib_dir = "build/lib.{0}-{1}.{2}".format(get_platform(), major, minor)
        print '**************** Tests ****************'
        if not run(argv=[__file__, '-v', lib_dir]):
            raise DistutilsError('at least one of the tests failed')


144
145
def git_lsfiles():
    try:
146
        p = subprocess.Popen(['git', 'ls-files'], cwd=distr_root,
147
148
149
150
151
152
153
                             stdout=subprocess.PIPE, stderr=subprocess.PIPE)
    except OSError:
        return

    if p.wait() != 0:
        return
    return p.communicate()[0].split('\n')[:-1]
154
155


156
157
158
159
160
161
# 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.
class kwant_sdist(distutils_sdist):
    sub_commands = [('build', None)] + distutils_sdist.sub_commands
162
163
164
165
166
167
168
169

    def run(self):
        names = git_lsfiles()
        trustworthy = True
        if names is None:
            # Check that MANIFEST exists and has not been generated by
            # distutils.
            try:
170
                with open(distr_root + '/MANIFEST', 'r') as f:
171
172
173
174
175
176
177
178
                    line = f.read()
            except IOError:
                print >>sys.stderr, "error: MANIFEST file is missing and " \
                    "Git is not available to regenerate it."
                exit(1)
            trustworthy = not line.strip().startswith('#')
        else:
            # Generate MANIFEST file.
179
            with open(distr_root + '/MANIFEST', 'w') as f:
180
181
182
183
184
185
186
187
188
                for name in names:
                    a, sep, b = name.rpartition('/')
                    if b == '.gitignore':
                        continue
                    stem, dot, extension = b.rpartition('.')
                    if extension == 'pyx':
                        f.write(''.join([a, sep, stem, dot, 'c', '\n']))
                    f.write(name + '\n')
                f.write(STATIC_VERSION_FILE + '\n')
189
                f.write('MANIFEST\n')
190
191
192
193
194
195
196
197
198
199
200
201
202
203

        distutils_sdist.run(self)

        if names is None:
            print >>sys.stderr, \
    """**************** Warning ****************
Git was not available for re-generating the MANIFEST file (the list of file
names to be included in the source distribution).  The old MANIFEST was used."""

        if not trustworthy:
            print >>sys.stderr, \
    """**************** Warning ****************
The existing MANIFEST file seems to have been generated by distutils (it begins
with a comment).  It may well be incomplete."""
204
205


206
# This is an exact copy of the function from kwant/_common.py.  We can't import
207
# it here (because Kwant is not yet built when this scipt is run), so we just
208
209
210
# include a copy.
def get_version_from_git():
    try:
211
212
        p = subprocess.Popen(['git', 'rev-parse', '--show-toplevel'],
                             cwd=distr_root,
213
214
215
216
217
                             stdout=subprocess.PIPE, stderr=subprocess.PIPE)
    except OSError:
        return
    if p.wait() != 0:
        return
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
    # TODO: use os.path.samefile once we depend on Python >= 3.3.
    if os.path.normpath(p.communicate()[0].rstrip('\n')) != distr_root:
        # The top-level directory of the current Git repository is not the same
        # as the root directory of the Kwant distribution: do not extract the
        # version from Git.
        return

    # git describe --first-parent does not take into account tags from branches
    # that were merged-in.
    for opts in [['--first-parent'], []]:
        try:
            p = subprocess.Popen(['git', 'describe'] + opts, cwd=distr_root,
                                 stdout=subprocess.PIPE, stderr=subprocess.PIPE)
        except OSError:
            return
        if p.wait() == 0:
            break
    else:
        return
    version = p.communicate()[0].rstrip('\n')
238
239
240
241
242

    if version[0] == 'v':
        version = version[1:]

    try:
243
        p = subprocess.Popen(['git', 'diff', '--quiet'], cwd=distr_root)
244
245
246
247
248
249
250
    except OSError:
        version += '-confused'  # This should never happen.
    else:
        if p.wait() == 1:
            version += '-dirty'
    return version

Christoph Groth's avatar
Christoph Groth committed
251

252
def get_static_version():
253
    """Return the version as recorded inside the source code."""
254
    try:
Christoph Groth's avatar
Christoph Groth committed
255
        with open(STATIC_VERSION_FILE) as f:
256
257
258
259
260
261
262
            contents = f.read()
            assert contents[:11] == "version = '"
            assert contents[-2:] == "'\n"
            return contents[11:-2]
    except:
        return None

Christoph Groth's avatar
Christoph Groth committed
263
264

def version():
265
    """Determine the version of Kwant.  Return it and save it in a file."""
Christoph Groth's avatar
Christoph Groth committed
266
267
268
269
270
271
272
273
274
275
276
277
278
279
    git_version = get_version_from_git()
    static_version = get_static_version()
    if git_version is not None:
        version = git_version
        if static_version != git_version:
            with open(STATIC_VERSION_FILE, 'w') as f:
                f.write("version = '%s'\n" % version)
    elif static_version is not None:
        version = static_version
    else:
        version = 'unknown'
    return version


280
281
282
283
284
def long_description():
    text = []
    try:
        with open(README_FILE) as f:
            for line in f:
285
                if line.startswith(README_END_BEFORE):
286
287
                    break
                text.append(line.rstrip())
288
289
            while text[-1] == "":
                text.pop()
290
291
292
293
294
    except:
        return ''
    return '\n'.join(text)


295
296
297
298
299
300
def packages():
    return [root.replace('/', '.')
            for root, dnames, fnames in os.walk('kwant')
            if '__init__.py' in fnames or root.endswith('/tests')]


301
302
303
304
305
306
307
308
309
310
311
312
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
313
    try:
314
        p = subprocess.Popen(cmd, stdin=subprocess.PIPE, stderr=subprocess.PIPE)
Christoph Groth's avatar
Christoph Groth committed
315
316
317
    except OSError:
        pass
    else:
318
319
320
        p.communicate(input='int main() {}\n')
        if p.wait() == 0:
            return {'libraries': libs}
Christoph Groth's avatar
Christoph Groth committed
321
322
323
324
325
326
327
328
    return {}


def extensions():
    """Return a list of tuples (args, kwrds) to be passed to
    Extension. possibly after replacing ".pyx" with ".c" if Cython is not to be
    used."""

329
    global build_summary, config_file_present
Christoph Groth's avatar
Christoph Groth committed
330
331
    build_summary = []

332
    #### Add components of Kwant without external compile-time dependencies.
Christoph Groth's avatar
Christoph Groth committed
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
    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']})]

353
    #### Add components of Kwant with external compile-time dependencies.
Christoph Groth's avatar
Christoph Groth committed
354
355
356
357
358
    config = ConfigParser.ConfigParser()
    try:
        with open(CONFIG_FILE) as f:
            config.readfp(f)
    except IOError:
359
360
361
        config_file_present = False
    else:
        config_file_present = True
Christoph Groth's avatar
Christoph Groth committed
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386

    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:
387
        kwrds = search_mumps()
Christoph Groth's avatar
Christoph Groth committed
388
        if kwrds:
389
            build_summary.append('Auto-configured MUMPS')
Christoph Groth's avatar
Christoph Groth committed
390
391
392
393
394
395
396
397
398
399
400
401
402
403
    if kwrds:
        for name, value in lapack.iteritems():
            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


404
405
406
407
408
409
410
411
412
413
414
415
def complain_cython_unavailable():
    assert not cythonize or cython_version < REQUIRED_CYTHON_VERSION
    if cythonize:
        msg = "Install Cython {0} or newer so it can be made or use a source " \
            "distribution of Kwant."
        ver = '.'.join(str(e) for e in REQUIRED_CYTHON_VERSION)
        print >>sys.stderr, msg.format(ver)
    else:
        print >>sys.stderr, "Run setup.py without", \
            NO_CYTHON_OPTION


Christoph Groth's avatar
Christoph Groth committed
416
417
418
419
def ext_modules(extensions):
    """Prepare the ext_modules argument for distutils' setup."""
    result = []
    for args, kwrds in extensions:
420
        if not cythonize or cython_version < REQUIRED_CYTHON_VERSION:
Christoph Groth's avatar
Christoph Groth committed
421
422
423
424
425
426
427
428
            if 'language' in kwrds:
                if kwrds['language'] == 'c':
                    ext = '.c'
                elif kwrds['language'] == 'c++':
                    ext = '.cpp'
                else:
                    print >>sys.stderr, 'Unknown language'
                    exit(1)
429
            else:
Christoph Groth's avatar
Christoph Groth committed
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
                ext = '.c'
            pyx_files = []
            cythonized_files = []
            sources = []
            for f in args[1]:
                if f[-4:] == '.pyx':
                    pyx_files.append(f)
                    f = f[:-4] + ext
                    cythonized_files.append(f)
                sources.append(f)
            args[1] = sources

            try:
                cythonized_oldest = min(os.stat(f).st_mtime
                                        for f in cythonized_files)
            except OSError:
                print >>sys.stderr, \
447
                    "error: Cython-generated file {0} is missing.".format(f)
448
                complain_cython_unavailable()
449
                exit(1)
Christoph Groth's avatar
Christoph Groth committed
450
            for f in pyx_files + kwrds.get('depends', []):
451
452
453
454
                if f == CONFIG_FILE:
                    # The config file is only a dependency for the compilation
                    # of the cythonized file, not for the cythonization.
                    continue
Christoph Groth's avatar
Christoph Groth committed
455
                if os.stat(f).st_mtime > cythonized_oldest:
456
457
458
459
460
                    msg = "error: {0} is newer than its source file, but "
                    if cythonize and not cython_version:
                        msg += "Cython is not installed."
                    elif cythonize:
                        msg += "the installed Cython is too old."
Christoph Groth's avatar
Christoph Groth committed
461
                    else:
462
                        msg += "Cython is not to be run."
Christoph Groth's avatar
Christoph Groth committed
463
                    print >>sys.stderr, msg.format(f)
464
465
                    complain_cython_unavailable()
                    exit(1)
Christoph Groth's avatar
Christoph Groth committed
466
467
468
469
470
471
472
473
474

        result.append(Extension(*args, **kwrds))

    return result


def main():
    setup(name='kwant',
          version=version(),
Christoph Groth's avatar
Christoph Groth committed
475
          author='C. W. Groth (CEA), M. Wimmer, A. R. Akhmerov, X. Waintal (CEA), and others',
476
          author_email='authors@kwant-project.org',
Christoph Groth's avatar
Christoph Groth committed
477
          description="Package for numerical quantum transport calculations.",
478
479
          long_description=long_description(),
          platforms=["Unix", "Linux", "Mac OS-X", "Windows"],
480
481
          url="http://kwant-project.org/",
          license="BSD",
482
          packages=packages(),
483
          cmdclass={'build': kwant_build,
484
                    'sdist': kwant_sdist,
485
                    'build_ext': kwant_build_ext,
Christoph Groth's avatar
Christoph Groth committed
486
487
                    'build_tut': build_tut,
                    'test': test},
Christoph Groth's avatar
Christoph Groth committed
488
489
          ext_modules=ext_modules(extensions()),
          include_dirs=[numpy.get_include()])
490

Christoph Groth's avatar
Christoph Groth committed
491
492
if __name__ == '__main__':
    main()