Merge pull request #107 from hmacdope/try_unpin_scipy

Try unpin scipy
MDAnalysis · Jul 3, 2024 · fd37875 · fd37875
2 parents c9957d6 + 009542e
commit fd37875
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Showing 3 changed files with 4 additions and 3 deletions.
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(