setup.py

# Copyright (c) 2016 Martin Sicho
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program.  If not, see <http://www.gnu.org/licenses/>.
from importlib.machinery import SourceFileLoader

from setuptools import setup, Extension, find_packages
import os

version_module = SourceFileLoader('version', 'src/python/molpher/version.py').load_module()
version = version_module.VERSION
build = version_module.BUILD_NUMBER

print(f'Building Python extensions for molpher ({version}-r{build}).')

prefix_include_dir = os.path.join(os.environ.get('PREFIX'), 'include/molpher-lib/') if os.environ.get('PREFIX') else None
conda_prefix_include_dir = os.path.join(os.environ.get('CONDA_PREFIX'), 'include/molpher-lib/') if os.environ.get('CONDA_PREFIX') else None

include_dirs = [
    'include/'
]
if prefix_include_dir:
    include_dirs += [prefix_include_dir]
if conda_prefix_include_dir:
    include_dirs += [conda_prefix_include_dir]
print("Using include dirs:", include_dirs)
molpher_cpp_module = Extension('molpher.swig_wrappers._core',
                           sources=['src/swig/molpher_wrap.cpp'],
                           include_dirs = include_dirs,
                           library_dirs = os.environ["LD_LIBRARY_PATH"].split(":") if "LD_LIBRARY_PATH" in os.environ else None,
                           libraries=['molpher'],
                           extra_compile_args=['-std=gnu++1z'],
                           language='c++'
                           )

setup (name = 'molpher',
       classifiers=[
           'Programming Language :: Python :: 3',
       ],
       version = version + '-r' + build if build != '0' else version,
       author      = "Martin Sicho",
       description = "Molpher-lib: Python wrappers and C++ library.",
       package_dir={'': 'src/python/'},
       packages=find_packages('src/python/'),
       ext_modules = [molpher_cpp_module,],
       include_package_data=True,
       data_files=[
        ('molpher',['BUILD.TXT', 'VERSION.TXT'])
       ],
       package_data = {
           'molpher.core.tests' : ['test_files/*'],
           'molpher.examples' : ['*.xml', '*.sdf'],
           'molpher' : ['SAScore.dat']
       },
       test_suite="molpher.core.tests",
       python_requires='>=3'
       )