python中的计算化学库
comp-chem-p的Python项目详细描述
|文档状态
MIT许可证
…|文档状态图像::https://readthedocs.org/projects/comp_chem_py/badge/?版本=最新
:目标:http://comp_chem_py.readthedocs.io/?徽章=最新的|麻省理工学院许可证图像::https://img.shields.io/badge/license mit blue.svg
:目标:许可证
设置和安装
===
首先克隆它:
git clone——递归https://gitlab.com/pablobaudin/comp-chem-py.git
>然后导出` ~/.bashrc```:
comp-chem-path=/path/to/comp-chem-py/root/dir
export path=${comp-chem-chem-path}/bin:$path
export pythonpath=${comp-chem-path路径路径路径}/bin:$path
export pythonpath=${comp-comp-comp-chem-chem-path-path-path-path-}/外部:$pythonpath
导出pythonpath=${comp_chem_path}/src:$pythonpath
documentation
==
*请查看代码“documentation<;http://comp_chem_py.readthedocs.io/en/latest/>;`。
…待办事项:
。不断改进文档。
删除旧的_comp_chem_py repository/group和所有子存储库或将其存档。添加测试。也许是医生。它们也应该包含在setup.py中。请参见,
https://python packaging.readthedocs.io/en/latest/testing.html
。考虑将comp-chem-utils设为外部子模块。添加有关需求和文档依赖性的部分。使用git repo as将ebsel包添加到setup.py中,
依赖关系链接=['http://github.com/user/repo/tarball/master\egg=package-1.0']
MIT许可证
…|文档状态图像::https://readthedocs.org/projects/comp_chem_py/badge/?版本=最新
:目标:http://comp_chem_py.readthedocs.io/?徽章=最新的|麻省理工学院许可证图像::https://img.shields.io/badge/license mit blue.svg
:目标:许可证
设置和安装
===
首先克隆它:
git clone——递归https://gitlab.com/pablobaudin/comp-chem-py.git
>然后导出` ~/.bashrc```:
comp-chem-path=/path/to/comp-chem-py/root/dir
export path=${comp-chem-chem-path}/bin:$path
export pythonpath=${comp-chem-path路径路径路径}/bin:$path
export pythonpath=${comp-comp-comp-chem-chem-path-path-path-path-}/外部:$pythonpath
导出pythonpath=${comp_chem_path}/src:$pythonpath
documentation
==
*请查看代码“documentation<;http://comp_chem_py.readthedocs.io/en/latest/>;`。
…待办事项:
。不断改进文档。
删除旧的_comp_chem_py repository/group和所有子存储库或将其存档。添加测试。也许是医生。它们也应该包含在setup.py中。请参见,
https://python packaging.readthedocs.io/en/latest/testing.html
。考虑将comp-chem-utils设为外部子模块。添加有关需求和文档依赖性的部分。使用git repo as将ebsel包添加到setup.py中,
依赖关系链接=['http://github.com/user/repo/tarball/master\egg=package-1.0']