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ReactionMechanismGenerator / RMG-website

A Django-powered website for Reaction Mechanism Generator (RMG)
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RMG is taking its database from a different location #256

Closed purkun01 closed 7 months ago

purkun01 commented 1 year ago

Hello RMG developers,

I was trying to run some scripts when I realized that RMG is taking it's global settings from the location given below

ananconda3/envs/rmg_env/share/rmgdatabase

and not from the database where I am making my changes (i.e. RMG-database which I pulled from github).

Is there anyway to make RMG take it's data from the RMG-database and not from the rmgdatabase specified in the above path?

alongd commented 1 year ago

Hi, did you install RMG from binaries, of from source?

purkun01 commented 1 year ago

Hello @alongd I have done installation by source using anaconda environment for linux based systems i.e. developer installation.

Attaching the log file for a specific run. From the first line we can see the problem.

RMG.log

rwest commented 1 year ago

This may help. https://github.com/ReactionMechanismGenerator/RMG-Py/issues/934 The first line of your log file shows which rmgrc file is currently being used.

But you could also try "conda uninstall rmgdatabase". It might have been installed by mistake when conda installed pyRMS, a recent build of which specified RMG and RMGdatabase as dependencies (not helpful when trying to make an environment to build RMG from source).

(Also, perhaps this should be an issue on RMG-Py not RMG-website)