Update to installation guide

[lucyraven]

Hi,

Thanks for making a cool analysis tool!

Following the current installation guide results in the following stack trace:
File "/home/lucy/miniconda3/envs/pensa/lib/python3.10/site-packages/MDAnalysis/topology/GSDParser.py", line 77, in
import gsd.hoomd
File "/home/lucy/.local/lib/python3.10/site-packages/gsd/hoomd.py", line 27, in
from gsd import fl
File "gsd/fl.pyx", line 1, in init gsd.fl
ValueError: numpy.dtype size changed, may indicate binary incompatibility. Expected 96 from C header, got 88 from PyObject

Apparently numpy made som bigger changes when they released version 2 in June 2024. The below update to the conda env fixes the issue.

conda create --name pensa python==3.10 scipy numpy==1.26.4 pandas matplotlib MDAnalysis==2.8 deeptime biotite pip -c conda-forge
conda activate pensa
pip install pensa

Just making the issue to help other users :)

[github-actions]

Congras on the first issue!

[martinvoegele]

Thanks a lot! Great catch!
I have added the numpy version to the installation instructions on the docs page.