#! /bin/bash

###### PRELIMINARY ################################
## Manual intervention required

#1. 
testdir='/share/apps/configrepo'

if [ ! -d "$testdir" ] ; then
     echo "$testdir" not found
	 echo "Abort. Please create the $testdir directory and try again"
	 exit 1
else #if needed #also: elif [new condition] 
	 echo "$testdir" found. Proceed.
fi
echo ' ' 
###### END OF PRELIMINARY ################################


#3. Install Mathematica in /share/apps/

        cd /share/apps/configrepo;
	scp root@anicca.usm.my:/share/apps/configrepo/Mathematica_11.0.0_LINUX.sh .
	./Mathematica_11.0.0_LINUX.sh   ### response to prompt, install it in /share/apps/Wolfram instead of in the default directory



#4. install pgi compilers, see https://www.pgroup.com/doc/pgiinstall174.pdf or https://www.pgroup.com/resources/docs/18.7/x86/pgi-install-guide/index.htm

        cd /share/apps/configrepo;
#       wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/inst_pgi.txt
        chmod +x inst_pgi.txt
        ./inst_pgi.txt


#4.5. install gaussian 09
        cd /share/apps/configrepo;
        wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/gaussian/inst_g09;
        chmod +x inst_g09
        ./inst_g09


#5. Install wien2k 19.1

        cd /share/apps/configrepo; wget http://comsics.usm.my/configrepo/howto/customise_centos/WIEN2k/WIEN2k_19.1/inst_wien2k_19.1.txt; sh inst_wien2k_19.1.txt