(#289) Added a liohome file.

Author: fedepedron

liohome.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+
+# Gets this directory and sets it as LIOHOME.
+INSTALL_DIR=$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )
+export LIOHOME=$INSTALL_DIR
+
+# Adds LIO libraries.
+LIOLIBS=$LIOHOME/g2g:$LIOHOME/lioamber
+export LIBRARY_PATH=$LIBRARY_PATH:$LIOLIBS
+export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$LIOLIBS
+
+# Adds LIO tools and executables to path.
+LIOEXES=$LIOHOME/liosolo:$LIOHOME/tools
+export PATH=$PATH:$LIOEXES
+

test/LIO_test/00_agua/run.sh

@@ -8,4 +8,5 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i agua.in -b basis -c agua.xyz -v > $SALIDA

test/LIO_test/01_OxyMol/run.sh

@@ -8,5 +8,6 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i Oxy-mol.in -c Oxy-mol.xyz -v > $SALIDA
 

test/LIO_test/02_Fe3H2O6/run.sh

@@ -8,5 +8,6 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i fe3h2o.in -c fe3h2o.xyz -v > $SALIDA
 

test/LIO_test/03_fosfatoQMMM/run.sh

@@ -8,5 +8,6 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i fos.in -c fos.xyz -b basis -v > $SALIDA
 

test/LIO_test/04_ECP/run.sh

@@ -8,6 +8,7 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i cl2.in -c cl2.xyz -v > $SALIDA
 
 

test/LIO_test/05_TDDFTField/run.sh

@@ -8,6 +8,7 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i chloride.in -c chloride.xyz -v > $SALIDA
 
 

test/LIO_test/06_QMinPcharges/run.sh

@@ -8,6 +8,7 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i agua.in -b basis -c agua.xyz -v > $SALIDA
 
 

test/LIO_test/07_TDDFTHCL/run.sh

@@ -8,6 +8,7 @@ if [ -n "$1" ]
     SALIDA=$1
 fi
 
+source ../../../liohome.sh
 $LIOBIN -i chloride.in -c chloride.xyz -v > $SALIDA