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open-reaction-database / ord-schema

Schema for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
95 stars 26 forks source link

Pip installation not working(?) #712

Closed jtheligand closed 7 months ago

jtheligand commented 7 months ago

Tried to install using pip install. This seemed to work fine, but was unable to generate a reaction due to ValueError

Was trying to use with Python 3.9.18 but not seeing any errors in the console, etc until I tried to generate a new reaction.

Cloning the git (with Brandon's help!) was able to get working upon python update.

qai222 commented 7 months ago

Could you provide a minimum example for this (e.g., the script you used to generate a new reaction)? Error track output for that ValueError would also be helpful.

bdeadman commented 7 months ago

I'm meeting Jessica and Brandon later this week so we can have a quick chat about it then, and work out what guidance/fix is needed. I also have access to the repo they are working in, and the script was fine. The problem appears to be in the ord-schema installation method.

bdeadman commented 7 months ago

From Brandon:

I can't remember which approach I initially took (i might have tried originally with pip install ord-schema). But the approach I found that worked 100% of the time was to clone from git, cd to the cloned dir and compile directly using pip install -e . Also recall only realizing it needed python 3.10 when I did this outside of the jupyter environment. When I tried to include the cloning aspect directly in the jupyter python environment (including the import of protobuff) I got the same exact errors Jessica is reporting. if the schema is directly installed in the pwd/environment, you can directly call on it and its components without with cloning from git in the src

FanwangM commented 7 months ago

I think this can trace back to https://github.com/open-reaction-database/ord-schema/blob/1fb700857f56f02edd0348d1c763c16df56db806/setup.py#L35, where the ord-schema intended to support Python version > 3.10. But if you want to install it for a Python version lower than 3.10, cloning the code and commenting on this line to lose the constraint should work.

FanwangM commented 7 months ago

Given that the problem is traced to the Python version requirement in setup.py, I will close it. But please feel free to reopen it if you have any other questions. @jtheligand