1#!/usr/bin/env python3
2
3# Copyright (C) 2007-2017  CAMd
4# Please see the accompanying LICENSE file for further information.
5
6import os
7import re
8import sys
9from setuptools import setup, find_packages
10from setuptools.command.build_py import build_py as _build_py
11from glob import glob
12from os.path import join
13
14python_min_version = (3, 6)
15python_requires = '>=' + '.'.join(str(num) for num in python_min_version)
16
17
18if sys.version_info < python_min_version:
19    raise SystemExit('Python 3.6 or later is required!')
20
21
22install_requires = [
23    'numpy>=1.15.0',  # July 2018
24    'scipy>=1.1.0',  # May 2018
25    'matplotlib>=3.1.0',  # May 2019
26]
27
28
29extras_require = {
30    'docs': [
31        'sphinx',
32        'sphinx_rtd_theme',
33        'pillow',
34    ],
35    'test': [
36        'pytest>=5.0.0',  # required by pytest-mock
37        'pytest-mock>=3.3.0',
38        'pytest-xdist>=1.30.0',
39    ]
40}
41
42# Optional: spglib >= 1.9
43
44
45with open('README.rst') as fd:
46    long_description = fd.read()
47
48# Get the current version number:
49with open('ase/__init__.py') as fd:
50    version = re.search("__version__ = '(.*)'", fd.read()).group(1)
51
52
53package_data = {'ase': ['spacegroup/spacegroup.dat',
54                        'collections/*.json',
55                        'db/templates/*',
56                        'db/static/*'],
57                'ase.test': ['pytest.ini',
58                             'testdata/*']}
59
60
61class build_py(_build_py):
62    """Custom command to build translations."""
63    def __init__(self, *args, **kwargs):
64        _build_py.__init__(self, *args, **kwargs)
65        # Keep list of files to appease bdist_rpm.  We have to keep track of
66        # all the installed files for no particular reason.
67        self.mofiles = []
68
69    def run(self):
70        """Compile translation files (requires gettext)."""
71        _build_py.run(self)
72        msgfmt = 'msgfmt'
73        status = os.system(msgfmt + ' -V')
74        if status == 0:
75            for pofile in sorted(glob('ase/gui/po/*/LC_MESSAGES/ag.po')):
76                dirname = join(self.build_lib, os.path.dirname(pofile))
77                if not os.path.isdir(dirname):
78                    os.makedirs(dirname)
79                mofile = join(dirname, 'ag.mo')
80                print()
81                print('Compile {}'.format(pofile))
82                status = os.system('%s -cv %s --output-file=%s 2>&1' %
83                                   (msgfmt, pofile, mofile))
84                assert status == 0, 'msgfmt failed!'
85                self.mofiles.append(mofile)
86
87    def get_outputs(self, *args, **kwargs):
88        return _build_py.get_outputs(self, *args, **kwargs) + self.mofiles
89
90
91setup(name='ase',
92      version=version,
93      description='Atomic Simulation Environment',
94      url='https://wiki.fysik.dtu.dk/ase',
95      maintainer='ASE-community',
96      maintainer_email='ase-users@listserv.fysik.dtu.dk',
97      license='LGPLv2.1+',
98      platforms=['unix'],
99      packages=find_packages(),
100      python_requires=python_requires,
101      install_requires=install_requires,
102      extras_require=extras_require,
103      package_data=package_data,
104      entry_points={'console_scripts': ['ase=ase.cli.main:main',
105                                        'ase-db=ase.cli.main:old',
106                                        'ase-gui=ase.cli.main:old',
107                                        'ase-run=ase.cli.main:old',
108                                        'ase-info=ase.cli.main:old',
109                                        'ase-build=ase.cli.main:old']},
110      long_description=long_description,
111      cmdclass={'build_py': build_py},
112      classifiers=[
113          'Development Status :: 6 - Mature',
114          'License :: OSI Approved :: '
115          'GNU Lesser General Public License v2 or later (LGPLv2+)',
116          'Operating System :: OS Independent',
117          'Programming Language :: Python :: 3',
118          'Programming Language :: Python :: 3.5',
119          'Programming Language :: Python :: 3.6',
120          'Programming Language :: Python :: 3.7',
121          'Topic :: Scientific/Engineering :: Physics'])
122