Add notes about tested versions to interfaces

Author: suchanj

interfaces/CP2K/r.cp2k

@@ -6,6 +6,7 @@ input=input$ibead.inp
 natom=$(wc -l < ../geom.dat.$ibead)
 let lines=natom+2
 
+# Developed for SW versions: 3.0-4.1
 source ../SetEnvironment.sh CP2K
 
 echo "$natom" > input$ibead.xyz

interfaces/GAUSSIAN/r.gaussian

@@ -1,6 +1,7 @@
 #!/bin/bash
 cd $(dirname $0)
 
+# Developed for SW versions: G09, G16
 source ../SetEnvironment.sh GAUSSIAN
 
 timestep=$1

interfaces/MOLPRO/r.molpro

@@ -4,6 +4,7 @@ timestep=$1
 ibead=$2
 input=input$ibead
 
+# Developed for SW version: 2015
 source ../SetEnvironment.sh MOLPRO
 
 

interfaces/MOPAC/r.mopac

@@ -1,5 +1,6 @@
 #! /bin/bash
 cd MOPAC
+# Developed for SW version: 2016
 source ../SetEnvironment.sh MOPAC
 
 timestep=$1

interfaces/ORCA/r.orca

@@ -14,6 +14,7 @@
 cd "$(dirname "$0")" || exit 2
 set -uo pipefail
 
+# Developed for SW versions: 3.0.0-6.0.0
 if [[ -f ../SetEnvironment.sh ]]; then
   # This is specific to Prague clusters
   source ../SetEnvironment.sh ORCA

interfaces/QCHEM/r.qchem

@@ -1,6 +1,7 @@
 #!/bin/bash
 cd $(dirname $0)
 
+# Developed for SW versions: 4.0-6.2
 source ../SetEnvironment.sh QCHEM
 
 timestep=$1

interfaces/TERACHEM/r.terachem

@@ -2,6 +2,7 @@
 # This script is called by ABIN as:
 # TERACHEM/r.terachem <timestep> <ibead>
 
+# Developed for SW version: v1.9
 # SETUP the TeraChem environment
 # $TERAEXE (used below) should hold the path to the terachem binary
 # The SetEnvironment.sh script that handles this is specific to PHOTOX clusters.

interfaces/TURBO/r.turbo

@@ -11,6 +11,7 @@ TYPE="RI-MP2" # RI-DFT|DFT|RI-MP2
 TURBO_INPUTS="INITIAL_RIMP2"
 TURBO_CONTROL=$TURBO_INPUTS/control
 
+# Developed for SW version: 7.6.1
 source ../SetEnvironment.sh TURBOMOLE
 
 SCRATCH="scratch.$ibead"