updates on submitBFE.sh

freeenergylab · Aug 20, 2024 · cc7a6f5 · cc7a6f5
1 parent 303e730
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diff --git a/testing/abfe_testing/submitBFE.sh b/testing/abfe_testing/submitBFE.sh
@@ -27,7 +27,6 @@ module load apbs/3.4.1
 export CONFIG_FILE='config.yaml'
 export ABFE_PKGPATH=$HOME/software/freeenergylab/FEP-SPell-ABFE/dev
 export PYTHONPATH=$ABFE_PKGPATH:$PYTHONPATH
-export PYTHONPATH=$ABFE_PKGPATH/abfe/thirdparty:$PYTHONPATH
 export LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH
 #==============================================================================
 # Setup Python Requirement

diff --git a/testing/ahfe_testing/submitBFE.sh b/testing/ahfe_testing/submitBFE.sh
@@ -27,7 +27,6 @@ module load apbs/3.4.1
 export CONFIG_FILE='config.yaml'
 export ABFE_PKGPATH=$HOME/software/freeenergylab/FEP-SPell-ABFE/dev
 export PYTHONPATH=$ABFE_PKGPATH:$PYTHONPATH
-export PYTHONPATH=$ABFE_PKGPATH/abfe/thirdparty:$PYTHONPATH
 export LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH
 #==============================================================================
 # Setup Python Requirement