From fc30a8181ac2986f43c809ea48bf13f78385b808 Mon Sep 17 00:00:00 2001 From: martinvoegele Date: Sun, 4 Aug 2024 20:14:14 -0400 Subject: [PATCH] define pandas version as 1.4 --- docs/installation.rst | 2 +- docs/requirements.txt | 1 + setup.py | 2 +- 3 files changed, 3 insertions(+), 2 deletions(-) diff --git a/docs/installation.rst b/docs/installation.rst index 4a16cd6..49bc9a8 100644 --- 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 index 3f68bb9..74de346 100644 --- 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 index 62e5920..c4b982b 100644 --- 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