diff --git a/requirements.txt b/requirements.txt index 261996a..044e8d4 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,7 +1,7 @@ setuptools numpy>=1.20.0 pandas>=2.2 -mdanalysis>=2.0.0 +mdanalysis>=2.7.0 pytest pathlib matplotlib diff --git a/setup.py b/setup.py index b59b9cb..0cf0fa8 100644 --- a/setup.py +++ b/setup.py @@ -46,7 +46,7 @@ "mdanalysis>=2.7.0", "pandas", "matplotlib", - "scipy==0.12.0", + "scipy==1.12.0", "statsmodels", "plotly", "rdkit",