From b8dae8d072472c3b2fb5da3f75859340d34330b6 Mon Sep 17 00:00:00 2001
From: orioncohen <orion@lbl.gov>
Date: Tue, 7 May 2024 11:51:33 -0700
Subject: [PATCH] Pin scipy in setupy.py

---
 setup.py | 37 ++++++++++++++++---------------------
 1 file changed, 16 insertions(+), 21 deletions(-)

diff --git a/setup.py b/setup.py
index 1222451..b59b9cb 100644
--- a/setup.py
+++ b/setup.py
@@ -2,6 +2,7 @@
 SolvationAnalysis
 An MDAnalysis rmodule for solvation analysis.
 """
+
 import sys
 from setuptools import setup, find_packages
 import versioneer
@@ -9,50 +10,46 @@
 short_description = __doc__.split("\n")
 
 # from https://github.com/pytest-dev/pytest-runner#conditional-requirement
-needs_pytest = {'pytest', 'test', 'ptr'}.intersection(sys.argv)
-pytest_runner = ['pytest-runner'] if needs_pytest else []
+needs_pytest = {"pytest", "test", "ptr"}.intersection(sys.argv)
+pytest_runner = ["pytest-runner"] if needs_pytest else []
 
 try:
     with open("README.md", "r") as handle:
         long_description = handle.read()
-except:
+except:  # noqa
     long_description = "\n".join(short_description[2:])
 
 
 setup(
     # Self-descriptive entries which should always be present
-    name='solvation_analysis',
-    author='Orion Cohen',
-    author_email='orioncohen@gmail.com',
+    name="solvation_analysis",
+    author="Orion Cohen",
+    author_email="orioncohen@gmail.com",
     description=short_description[0],
     long_description=long_description,
     long_description_content_type="text/markdown",
     version=versioneer.get_version(),
     cmdclass=versioneer.get_cmdclass(),
-    license='GNU Public License v3',
-
+    license="GNU Public License v3",
     # Which Python importable modules should be included when your package is installed
     # Handled automatically by setuptools. Use 'exclude' to prevent some specific
     # subpackage(s) from being added, if needed
     packages=find_packages(),
-
     # Optional include package data to ship with your package
     # Customize MANIFEST.in if the general case does not suit your needs
     # Comment out this line to prevent the files from being packaged with your software
     include_package_data=True,
-
     # Allows `setup.py test` to work correctly with pytest
     setup_requires=[] + pytest_runner,
-
     install_requires=[
-        'numpy>=1.20.0',
-        'mdanalysis>=2.7.0',
-        'pandas',
-        'matplotlib',
-        'scipy',
-        'statsmodels',
-        'plotly',
-        'rdkit'
+        "numpy>=1.20.0",
+        "mdanalysis>=2.7.0",
+        "pandas",
+        "matplotlib",
+        "scipy==0.12.0",
+        "statsmodels",
+        "plotly",
+        "rdkit",
     ],
     # Additional entries you may want simply uncomment the lines you want and fill in the data
     # url='http://www.my_package.com',  # Website
@@ -62,8 +59,6 @@
     #            'Unix',
     #            'Windows'],            # Valid platforms your code works on, adjust to your flavor
     # python_requires=">=3.5",          # Python version restrictions
-
     # Manual control if final package is compressible or not, set False to prevent the .egg from being made
     # zip_safe=False,
-
 )