#! /bin/bash

# Intallation script for parallelised abinit in an CENTOS system
# Run this script as root to install abinit-7.10.5 in /share/apps/abinit-7.10.5_gnu


############################################################
# mandatory requirement: 
# CC=/share/apps/openmpi-1.8.5/gcc/bin/mpicc 
# CXX=/share/apps/openmpi-1.8.5/gcc/bin/mpic++
# FC=/share/apps/openmpi-1.8.5/gcc/bin/mpif90
# fftw3 in /share/apps/fftw-3.3.4/gnu
# netcdf is installed in /share/apps/netcdf/4.3.3.1
# etsf is installed in /share/apps/etsf_io/1.0.4/gnu
# atlas lib in /share/apps/atlas-3-10-2/gnu
# bigdft installed in /share/apps/bigdft/1.7.1
# place /share/apps/bigdft/1.7.1/lib into $USER/.bashrc
# scalapack is installed in /share/apps/atlas-3-10-2/gnu/lib
# libxc is installed in /share/apps/lib/libxc-2.1.2
# place /share/apps/libxc-2.1.2/lib into $USER/.bashrc

############################################################


# The following is the script for complete installation of abinit with most plugin-options enabled, except atompaw and wannier90
################################################################################


cd /share/apps/configrepo
mkdir abinit-7.10.5-build
cd mkdir abinit-7.10.5-build
wget http://www2.fizik.usm.my/configrepo/howto/abinit/abinit-7.10.5.tar.gz
tar -zxvf abinit-7.10.5.tar.gz
mv abinit-7.10.5.tar.gz /share/apps/configrepo
cd abinit-7.10.5-build

wget http://www2.fizik.usm.my/configrepo/howto/abinit/config-template.ac.gnu
./configure --prefix=/share/apps/abinit-7.10.5_gnu --with-config-file=config-template.ac.gnu 

make mj4
make install