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Merge pull request #107 from hmacdope/try_unpin_scipy
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Try unpin scipy
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richardjgowers authored Jul 3, 2024
2 parents c9957d6 + 009542e commit fd37875
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Showing 3 changed files with 4 additions and 3 deletions.
2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -34,7 +34,7 @@ dependencies = [
'pytest',
'matplotlib',
'setuptools',
'scipy==1.12.0',
'scipy',
'statsmodels',
'plotly',
'rdkit'
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2 changes: 1 addition & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@ mdanalysis>=2.7.0
pytest
pathlib
matplotlib
scipy==1.12.0
scipy
statsmodels
plotly
rdkit
3 changes: 2 additions & 1 deletion solvation_analysis/rdf_parser.py
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Expand Up @@ -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(
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