diff --git a/docs/installation.rst b/docs/installation.rst index 49bc9a8..411674a 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 pandas==1.4 matplotlib MDAnalysis==2.2 cython biotite -c conda-forge + conda create --name pensa python=3.9 numpy==1.22 scipy==1.9 pandas==1.4 matplotlib==3.5 MDAnalysis==2.2 cython biotite -c conda-forge -c conda-forge conda activate pensa If you want to use PENSA with Jupyter notebooks: diff --git a/environment.yml b/environment.yml index 08c2cb0..53d086f 100644 --- a/environment.yml +++ b/environment.yml @@ -4,10 +4,10 @@ channels: - defaults dependencies: - python==3.9 - - scipy>=1.2 + - scipy==1.9 - numpy==1.22 - - pandas - - matplotlib + - pandas==1.4 + - matplotlib==3.5 - MDAnalysis==2.2 - deeptime - biotite diff --git a/setup.py b/setup.py index c4b982b..936eb90 100644 --- a/setup.py +++ b/setup.py @@ -22,9 +22,9 @@ zip_safe=False, 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', + 'scipy==1.9', 'pandas==1.4', - 'matplotlib', + 'matplotlib==3.5', 'deeptime', 'MDAnalysis==2.2', # some features we use will likely be removed in MDA 3 'biotite',