Merge pull request #61 from drorlab/57-use-the-mdanalysis-hydrogen-bo…

…nd-module-to-calculate-the-bonds define pandas version as 1.4
drorlab · Aug 5, 2024 · 815d860 · 815d860
2 parents bb8fdac + fc30a81
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diff --git a/docs/installation.rst b/docs/installation.rst
@@ -8,7 +8,7 @@ Create and activate a conda environment:
 
   .. code:: bash
 
-    conda create --name pensa python=3.9 numpy==1.22 scipy>=1.2 matplotlib MDAnalysis==2.2 cython biotite -c conda-forge
+    conda create --name pensa python=3.9 numpy==1.22 scipy>=1.2 pandas==1.4 matplotlib MDAnalysis==2.2 cython biotite -c conda-forge
     conda activate pensa
 
 If you want to use PENSA with Jupyter notebooks:

diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -9,6 +9,7 @@ sphinxcontrib-qthelp
 sphinxcontrib-serializinghtml
 numpy==1.22
 scipy>=1.2
+pandas==1.4
 matplotlib
 deeptime
 MDAnalysis==2.2

diff --git a/setup.py b/setup.py
@@ -23,7 +23,7 @@
     install_requires=[
         'numpy==1.22', # density functions in MDAnalysis 2 use np.histogramdd() with keyword normed which is deprecated in numpy 1.21 and removed in numpy 1.24
         'scipy>=1.2',
-        'pandas',
+        'pandas==1.4',
         'matplotlib',
         'deeptime',
         'MDAnalysis==2.2', # some features we use will likely be removed in MDA 3