File tree Expand file tree Collapse file tree
Expand file tree Collapse file tree Original file line number Diff line number Diff line change 11# Helper file to handle all configs
22[metdata]
3- name = MDRestraintsGenerator
4- description = Enabling the use of restraints in alchemical simulations
5- long_description = file: README.md
6- long_description_content_type = ' text/markdown'
7- author = Irfan Alibay
8- author_email = irfan.alibay@omsf.io
9- license = LGPLv3
10- license_files =
11- LICENSE
12- url = https://github.com/IAlibay/MDRestraintsGenerator/
3+ license_files = LICENSE
134classifiers =
145 Development Status :: 4 - Beta
156 Intended Audience :: Science/Research
@@ -19,21 +10,6 @@ classifiers =
1910 Topic :: Scientific/Engineering :: Bio-Informatics
2011 Topic :: Scientific/Engineering :: Chemistry
2112
22- [options]
23- zip_safe = False
24- python_requires = >= 3.8
25- install_requires =
26- MDAnalysis>=1.0.0
27- numpy
28- scipy<1.8
29- matplotlib
30- include_package_data = True
31- packages = find:
32-
33- [options.package_data]
34- * = *.md
35- MDRestraintsGenerator = " ./MDRestraintsGenerator/data/*"
36-
3713[options.extras_require]
3814test =
3915 pytest
Original file line number Diff line number Diff line change 22MDRestraintsGenerator
33A framework for generating restraints for MD simulations
44"""
5- from setuptools import setup
5+ from setuptools import setup , find_packages
66import versioneer
77
8+ with open ('README.md' , 'r' ) as handle :
9+ long_description = handle .read ()
810
911setup (
1012 # Self-descriptive entries which should always be present
1113 version = versioneer .get_version (),
1214 cmdclass = versioneer .get_cmdclass (),
15+ name = 'MDRestraintsGenerator' ,
16+ author = 'Irfan Alibay' ,
17+ author_email = 'irfan.alibay@bioch.ox.ac.uk' ,
18+ description = 'Enabling the use of restraints in alchemical simulations' ,
19+ long_description = long_description ,
20+ long_description_content_type = 'text/markdown' ,
21+ license = 'LGPLv3' ,
22+ url = 'https://github.com/IAlibay/MDRestraintsGenerator/' ,
23+ packages = find_packages (),
24+ include_package_data = True ,
25+ python_requires = '>=3.8' ,
26+ install_requires = [
27+ 'MDAnalysis>1.0.0' ,
28+ 'numpy' ,
29+ 'scipy<1.8' ,
30+ 'matplotlib' ,
31+ ],
1332)
You can’t perform that action at this time.
0 commit comments