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ZimmermanGroup / pyGSM

Thermal and photochemical reaction path optimization and discovery
MIT License
50 stars 26 forks source link

installation issue - seems that conda interface changed #45

Closed joshkamm closed 1 year ago

joshkamm commented 1 year ago

Hey @craldaz

I was running into an issue with @SoumiKDaS1701 where we were getting an error in the 3rd step of the install instructions in the README, but it seems like the issue is coming from step 1.

I think conda's interface has changed such that running conda create -n gsm_env like in the installation instructions now creates a conda environment with nothing in it (not even python). See Light_B's comment here. So then at step 3 when python is called there is no python in the environment to call.

If I'm understanding correctly, seems like we need to update the install instructions?

craldaz commented 1 year ago

Yes these install directions are old and something broke. I have a version that works here https://github.com/craldaz/pyGSM. Need to create a pull request for this repo.

joshkamm commented 1 year ago

Long term, are you trying to transition to that repo as the home for pyGSM?

For now, should we just update the line in the installation instructions based on the stack overflow post?

craldaz commented 1 year ago

Oh that's nice, i created a version on my account owing to frustration with that error and i wanted to experiment with some stuff without messing things up worse. Some other things might have changed as well. I'll try to do a merge soon. I think having the primary home in the ZimmermanGroup is ok.