Merge pull request #107 from hmacdope/try_unpin_scipy

richardjgowers · web-flow · commit fd378755a5c0 · 2024-07-03T09:48:06.000+01:00
Try unpin scipy
diff --git a/pyproject.toml b/pyproject.toml
@@ -34,7 +34,7 @@ dependencies = [
     'pytest',
     'matplotlib',
     'setuptools',
-    'scipy==1.12.0',
+    'scipy',
     'statsmodels',
     'plotly',
     'rdkit'
diff --git a/requirements.txt b/requirements.txt
@@ -5,7 +5,7 @@ mdanalysis>=2.7.0
 pytest
 pathlib
 matplotlib
-scipy==1.12.0
+scipy
 statsmodels
 plotly
 rdkit
diff --git a/solvation_analysis/rdf_parser.py b/solvation_analysis/rdf_parser.py
@@ -17,7 +17,8 @@
 import scipy
 import matplotlib.pyplot as plt
 import warnings
-from scipy.signal import find_peaks, gaussian
+from scipy.signal import find_peaks
+from scipy.signal.windows import gaussian
 
 
 def interpolate_rdf(
