#%Module1.0#####################################################################
##
## PyFrag2025 modulefile
##
proc ModulesHelp { } {

	puts stderr "\tAdds PyFrag2025 to your environment. "
}

module-whatis	"Adds PyFrag2025 to your environment.\nThis program is used to facilitate analysis of reaction mechanisms by deploying the Activation Strain Model (ASM), and the Energy Decomposition Analysis (EDA)."

module load shared 2025
module load site-apps

set               PYFRAGROOT        [PATH TO THE PYFRAG ROOT FOLDER]
set               AMSroot           [PATH TO THE AMS ROOT FOLDER]

# Add the /bin folder to the Path environment variable
prepend-path      PATH              $PYFRAGROOT/bin

# Set this to the /bin folder of PyFrag (thus, the folder with the scripts so that they can be found)
setenv         PYFRAGROOT	   		$PYFRAGROOT
setenv	       SCM_PYTHONPATH		$AMSroot/bin/amspython

