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- # Copyright 2021 Huawei Technologies Co., Ltd
- #
- # Licensed under the Apache License, Version 2.0 (the "License");
- # you may not use this file except in compliance with the License.
- # You may obtain a copy of the License at
- #
- # http://www.apache.org/licenses/LICENSE-2.0
- #
- # Unless required by applicable law or agreed to in writing, software
- # distributed under the License is distributed on an "AS IS" BASIS,
- # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- # See the License for the specific language governing permissions and
- # limitations under the License.
- # ============================================================================
- """Setup."""
-
- import os
- import stat
- from setuptools import setup
- from setuptools import find_packages
- from setuptools.command.egg_info import egg_info
- from setuptools.command.build_py import build_py
-
- cur_dir = os.path.dirname(os.path.realpath(__file__))
- pkg_dir = os.path.join(cur_dir, 'build')
- package_name = os.getenv('SPONGE_PACKAGE_NAME').replace("\n", "")
- package_data = {
- '': ["*.txt", "libs/*.so", "bin/*", "*.yaml", "*.mol2", "*.frcmod", "*.dat", "*.itp"]
- }
-
-
- def read_version():
- """generate python file"""
- version_file = os.path.join(cur_dir, '../', 'version.txt')
- with open(version_file, 'r') as f:
- version_ = f.readlines()[-1].strip()
- return version_
-
- version = read_version()
-
-
- def update_permissions(path):
- """
- Update permissions.
-
- Args:
- path (str): Target directory path.
- """
- for dirpath, dirnames, filenames in os.walk(path):
- for dirname in dirnames:
- dir_fullpath = os.path.join(dirpath, dirname)
- os.chmod(
- dir_fullpath, stat.S_IREAD | stat.S_IWRITE | stat.S_IEXEC
- | stat.S_IRGRP | stat.S_IXGRP)
- for filename in filenames:
- file_fullpath = os.path.join(dirpath, filename)
- os.chmod(file_fullpath, stat.S_IREAD)
-
-
- class EggInfo(egg_info):
- """Egg info."""
- def run(self):
- super().run()
- egg_info_dir = os.path.join(cur_dir, 'mindsponge.egg-info')
- update_permissions(egg_info_dir)
-
-
- class BuildPy(build_py):
- """BuildPy."""
- def run(self):
- super().run()
- mindsponge_dir = os.path.join(pkg_dir, 'libs', 'mindsponge')
- update_permissions(mindsponge_dir)
-
-
- with open('../requirements.txt', 'r') as f_requirements:
- requirements = f_requirements.readlines()
- requirements = [r.strip() for r in requirements]
- setup(name=package_name,
- version=version,
- author='The MindSpore Authors',
- author_email='contact@mindspore.cn',
- url='https://www.mindspore.cn/',
- download_url='https://gitee.com/mindspore/mindscience/tags',
- project_urls={
- 'Sources': 'https://gitee.com/mindspore/mindscience',
- 'Issue Tracker': 'https://gitee.com/mindspore/mindscience/issues',
- },
- description=
- "simulation package of next generation molecular modeling in mindspore",
- license='Apache 2.0',
- packages=find_packages(),
- package_data=package_data,
- include_package_data=True,
- cmdclass={
- 'egg_info': EggInfo,
- 'build_py': BuildPy,
- },
- install_requires=requirements,
- classifiers=['License :: OSI Approved :: Apache Software License'])
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