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molssi-seamm / seamm

The core of the SEAMM environment and graphical interface.
https://molssi-seamm.github.io
GNU Lesser General Public License v3.0
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Question about Python version for RDKit install #107

Closed janash closed 3 years ago

janash commented 3 years ago

I noticed that in our directions the instructions (https://molssi-seamm.github.io/seamm/installation.html) for installing rdkit give this command:

conda create -c rdkit -n <env_name> python=3.6.1 rdkit

The stable Python version is 3.9.6. RdKit documentation doesn't mention using Python 3.6. Is this Python version something that should be updated, or is pinning the Python version a necessity? We could just say "python" rather than "python=3.6.1".

Additionally, source activate, which is also used on the page is older syntax. I believe conda activate is preferred.

paulsaxe commented 3 years ago

Somehow you are looking at an older version of the documentation ... perhaps a bookmark. If you click on Main SEAMM documentation at the bottom of the navigation bar on the left, it will take you to the current version. The installation is under the User documentation (https://molssi-seamm.github.io/users/installation/index.html) but should probably be brought up to the top-level for visibility.

paulsaxe commented 3 years ago

ah! you are in the documentation for the SEAMM module, which is indeed wrong. Sorry for being confused!

This is the problem with having 2 or 3 things names "SEAMM": the whole environment, the main module, and typically the GUI itself is "SEAMM". Ufff.

janash commented 3 years ago

Ah, got it. What is the purpose of this documentation for the SEAMM module. Do we still need it?

paulsaxe commented 3 years ago

The bulk of it is the documentation of the module ... methods, etc. which is the developer documentation. It is the README and other human-generated files that need tweaking. Probably all or most of our ~20 repositories. Oh joy!