The configure file (getmachine) for GULP (General Utility Lattice Program) for Debian (Ubuntu) linux and g95 complier

getmachine

#! /bin/sh
#
# This shell script adapts the Makefile in dependence
# of the machine and the operating system you use.
# It is called from 'make' before the compiler
# is invoked.
#
#  7/97 IRIX64 directory name modified to handle IRIX7
#  2/99 Cray options added (IW)
#
#  DEFS:
#
#  -DMPI    => triggers MPI compilation
#  -DNOFOX  => do not compile FoX related subroutines
#  -DPLUMED => compile with calls to PLUMED added
#
#  Initially written by J-R. Hill, modified by JDG
#
#  !!!NOTE WELL!!! You MUST first try adding:
#
#  export LIBRARY_PATH=/usr/lib/x86_64-linux-gnu
#  to your ~/.bashrc file. If this does not work try 
#  typing into terminal:
#  sudo ln -s /usr/lib/x86_64-linux-gnu /usr/lib64
#  

makedir()
{
  if [ ! -d "$dir" ]
  then
    mkdir "$dir"
  fi
  cd $dir
}

debug=
if [ "$1" = "-debug" ]
then
  debug="_DEBUG"
  shift
fi
os=`uname -s`
case $os in
#
# Mac OS-X using Absoft compiler
#
  Darwin)  dir="${os}${debug}"
	   makedir
	   if [ "$debug" = "" ]
	   then
#  IBM
#	       echo 'OPT=-O2 -qstrict' > makefile
#	       echo 'OPT1=-O1' >> makefile
#  Absoft
#	       echo 'OPT=-O ' > makefile
#	       echo 'OPT1=' >> makefile
#  gfortran
#	       echo 'OPT=-O1 ' > makefile
#	       #echo 'OPT=-O2 ' > makefile
#	       echo 'OPT1=-O1' >> makefile
#  g95
	       echo 'OPT=-O ' > makefile
	       echo 'OPT1=' >> makefile
	       echo 'OPT2=-ffloat-store' >> makefile
#	       echo 'BAGGER=' >> makefile
	   else	
	       echo 'OPT=' > makefile
	       echo 'OPT2=-ffloat-store' >> makefile
#  g95
               echo 'BAGGER=-g -Wall -Wuninitialized -fbounds-check -ftrace=full' >> makefile
#  gfortran
#               echo 'BAGGER=-g -Wall -Wunused-parameter -fbounds-check ' >> makefile
	   fi
           target=${1}_
#  IBM
#           echo 'RUNF90=xlf90 -C' >> makefile
#           echo 'FFLAGS=-I.. ' >> makefile
#  Absoft
#           echo 'RUNF90=f90 ' >> makefile
#           echo 'FFLAGS=-I.. -B18 ' >> makefile
#  g95
#           echo 'RUNF90=mpif90 ' >> makefile
           echo 'RUNF90=g95 ' >> makefile
#  gfortran
#           echo 'RUNF90=gfortran ' >> makefile
           echo 'FFLAGS=-I.. ' >> makefile
#  C compiler
           echo 'RUNCC=gcc ' >> makefile
           echo 'CFLAGS=-funroll-all-loops -ffast-math -O3' >> makefile
#  IBM
#           echo 'LIBS=' >> makefile
#  Absoft
#           echo 'LIBS=-lU77' >> makefile
#  g95
           echo 'LIBS=' >> makefile
#           echo 'LIBS=-lmpi' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'ETIME=' >> makefile
           echo 'GULPENV=' >> makefile
	   echo 'CDABS=cdabs.o' >> makefile
# If PLUMED is needed then set -DPLUMED
#           echo 'DEFS=-DFLUSH -DPLUMED' >> makefile
           echo 'DEFS=-DFLUSH ' >> makefile
           echo 'PLUMEDDEFS=-DDL_POLY' >> makefile
#           echo 'DEFS=-DFLUSH -DMPI' >> makefile
           echo 'ARCHIVE = ar rcv' >> makefile
           echo 'RANLIB = ar ts' >> makefile
           ;;
#
# This is an IBM RS/6000.
#
  AIX)     if [ `uname -m | cut -c9-10` = "70" ]
	     then
		 dir="${os}_POWER2${debug}"
           else
		 dir="${os}_POWER${debug}"
           fi
	     makedir
	     if [ "$debug" = "" ]
	     then
	       echo 'OPT=-O5 -qstrict' > makefile
		 echo 'OPT1=-O2' >> makefile
	         echo 'OPT2=-O5' >> makefile
		 echo 'BAGGER=' >> makefile
           else
		 echo 'OPT=' > makefile
		 echo 'BAGGER=-g' >> makefile
           fi
           target=${1}_
           echo 'RUNF90=xlf90' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'FFLAGS=-qmaxmem=-1' >> makefile
	   echo 'CFLAGS=' >> makefile
           echo 'LIBS=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'ETIME=' >> makefile
           echo 'GULPENV=gulp_env.o' >> makefile
           echo 'CDABS=' >> makefile
           echo 'DEFS=-DFLUSH' >> makefile
           ;;
#
# This is a Silicon Graphics (R4000/R4400).
#
  IRIX)    dir="${os}_`hinv | awk '/CPU:/ {print $3}' | cut -d/ -f2`${debug}"
	     makedir
	     if [ "$debug" = "" ]
	     then
		 echo 'OPT=-O2 -mips2 -Olimit 3282' > makefile
		 echo 'OPT1=-O1 -mips2' >> makefile
		 echo 'OPT2=-O2 -mips2 -Olimit 3282' > makefile
		 echo 'BAGGER=-mips2' >> makefile
           else
	       echo 'OPT=' > makefile
		 echo 'BAGGER=-g -O0 -check_bounds' >> makefile
           fi
           target=${1}_
           echo 'RUNF90=f90' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'FFLAGS=' >> makefile
           echo 'CFLAGS=' >> makefile
           echo 'ETIME=' >> makefile
           echo 'LIBS=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'GULPENV=gulp_env.o' >> makefile
	   echo 'CDABS=cdabs.o' >> makefile
           echo 'DEFS=-DFLUSHWITHERRORFLAG' >> makefile
           ;;
#
# This is a Silicon Graphics (R8000/R10000). The compiler will screw up in the
# function potcut.f if full optimization is used.
#
  IRIX64)  dir="${os}_`uname -a | awk '/IRIX/ {print $5}' | cut -d/ -f2`${debug}"
	     makedir
	     if [ "$debug" = "" ]
	     then
		 echo 'OPT1=-O1 -mips4' >> makefile
	         echo 'OPT=-O2 -mips4 -OPT:const_copy_limit=19188 ' > makefile
		 echo 'OPT2=-O1 -mips4' >> makefile
		 echo 'BAGGER=-64' >> makefile
           else
	         echo 'OPT=' > makefile
		 echo 'BAGGER=-g -64' >> makefile
           fi
           target=${1}_
           echo 'RUNF90=f90' >> makefile
           echo 'FFLAGS=' >> makefile
	   echo 'LDFLAGS=' >> makefile
	   echo 'LIBS=' >> makefile
#	   echo 'LIBS=-lmpi' >> makefile
           echo 'CFLAGS=-ansi ' >> makefile
           echo 'ETIME=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'GULPENV=gulp_env.o' >> makefile
	   echo 'CDABS=cdabs.o' >> makefile
           echo 'DEFS=' >> makefile
#          echo 'DEFS=-DMPI' >> makefile
           ;;
#
# This is Linux with f90. cdabs.f contains the cdabs function
# which is missing in the f2c library
#
  Linux)   dir="${os}${debug}"
	   makedir
	   if [ "$debug" = "" ]
	   then
# PG compiler
#	       echo 'OPT=-fast' > makefile
#	       echo 'OPT1=-O1' >> makefile
# Intel compiler
#	       echo 'OPT=-O3 -mp1 ' > makefile
#	       echo 'OPT1=-O1' >> makefile
#	       echo 'OPT2=-O3 -mp1 ' >> makefile
# Absoft compiler
#	       echo 'OPT=-O' > makefile
#	       echo 'OPT1=-O' >> makefile
#  g95
	       echo 'OPT=-O ' > makefile
	       echo 'OPT1=' >> makefile
	       echo 'OPT2=-ffloat-store' >> makefile
	       echo 'BAGGER=' >> makefile
	   else	
	       echo 'OPT=' > makefile
#  g95
	       echo 'OPT2=-ffloat-store' >> makefile
               echo 'BAGGER=-g -Wall' >> makefile
#               echo 'BAGGER=-g ' >> makefile
	   fi
           target=${1}_
# PG compiler
#  	   echo 'RUNF90=pgf90 -Bstatic' >> makefile
# Intel compiler
  	   # echo 'RUNF90=ifort ' >> makefile
           # echo 'RUNCC=icc ' >> makefile
# Absoft compiler
#           echo 'RUNF90=f90' >> makefile
# g95
          echo 'RUNF90=g95 ' >> makefile
          echo 'RUNCC=gcc ' >> makefile
# PG compiler
#	   echo 'FFLAGS=-I.. ' >> makefile
#	   echo 'LIBS=' >> makefile
# Intel compiler
	   # echo 'FFLAGS=-I.. ' >> makefile
	   # echo 'LIBS=' >> makefile
	   # echo 'CFLAGS=-I.. ' >> makefile
# Absoft compiler
#           echo 'FFLAGS=-I.. -B18 ' >> makefile
#           echo 'LIBS=-lblas -lU77' >> makefile
#  g95
           echo 'FFLAGS=-I.. ' >> makefile
#
           echo 'CFLAGS=-ansi ' >> makefile
# PG compiler
#	   echo 'LDFLAGS=-Bstatic' >> makefile
# Intel compiler
#	   echo 'LDFLAGS=-static' >> makefile
# g95
	   echo 'LDFLAGS=' >> makefile
#
# General options
#
           echo 'ETIME=' >> makefile
           echo 'BLAS=blas.o' >> makefile
# for chemshell use, we should have lapack so comment the following line out
           echo 'LAPACK=lapack.o' >> makefile
           echo 'GULPENV=' >> makefile
	   echo 'CDABS=cdabs.o' >> makefile
# If PLUMED is needed then set -DPLUMED
#           echo 'DEFS=-DFLUSH -DPLUMED' >> makefile
           echo 'DEFS=-DFLUSH ' >> makefile
           echo 'PLUMEDDEFS=-DDL_POLY' >> makefile
           echo 'ARCHIVE = ar rcv' >> makefile
           echo 'RANLIB = ar ts' >> makefile
           ;;
#
# This is OSF1
#
  OSF1)    dir="${os}${debug}"
	     makedir
	     if [ "$debug" = "" ]
	     then
	       echo 'OPT=-O4 -fast' > makefile
	       echo 'OPT1=-O1 ' >> makefile
	       echo 'OPT2=-O4 -fast' >> makefile
		 echo 'BAGGER=' >> makefile
           else
	       echo 'OPT=' > makefile
		 echo 'BAGGER=-g -C' >> makefile
	   fi
           target=${1}_
           echo 'RUNF90=f90' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'FFLAGS=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'ETIME=' >> makefile
	   echo 'CDABS=' >> makefile
           echo 'DEFS=' >> makefile
           ;;
#
#  SunOS
#
  SunOS)   dir="${os}${debug}"
           makedir
           if [ "$debug" = "" ]
           then
               echo 'OPT=-fast -O5' > makefile
               echo 'OPT1=-O' >> makefile
               echo 'OPT2=-fast -O5' > makefile
                 echo 'BAGGER=' >> makefile
           else
               echo 'OPT=' > makefile
                 echo 'BAGGER=-g' >> makefile
           fi
           target=${1}_
           echo 'RUNF90=f90' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'FFLAGS=' >> makefile
           echo 'CFLAGS=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'ETIME=' >> makefile
           echo 'CDABS=' >> makefile
           echo 'DEFS=' >> makefile
           ;;
#
# This is HP-UX
# There seems to be a hiccup with setting target on HP
# so it's currently set statically
#
  HP-UX)   dir="${os}${debug}"
           makedir
           if [ "$debug" = "" ]
           then
               echo 'OPT=-O +Onolimit' > makefile
               echo 'OPT1=-O' >> makefile
               echo 'OPT2=-O +Onolimit' > makefile
                 echo 'BAGGER=+U77' >> makefile
           else
               echo 'OPT=' > makefile
                 echo 'BAGGER=-g +U77' >> makefile
           fi
           target="gulp_"
           echo 'RUNF90=f90' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'FFLAGS=' >> makefile
           echo 'CFLAGS=-Aa' >> makefile
           echo 'ETIME=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'CDABS=' >> makefile
           echo 'DEFS=-DFLUSH' >> makefile
           ;;
#
# This is Cygwin under WinXP using the g95 compiler
#
  CYGWIN_NT-5.1) dir="{os}${debug}"
                        makedir
                        if [ "$debug" = "" ]
           then
               echo 'OPT=-O' > makefile
               echo 'OPT1=-O' >> makefile
               echo 'OPT2=-O' > makefile
                 echo 'BAGGER=' >> makefile
           else
               echo 'OPT=' > makefile
                 echo 'BAGGER=-g' >> makefile
           fi
           target=${1}_
           echo 'RUNF90=g95' >> makefile
	   echo 'LDFLAGS=' >> makefile
           echo 'FFLAGS=-I.. ' >> makefile
           echo 'CFLAGS=-ansi ' >> makefile
           echo 'LIBS=' >> makefile
           echo 'ETIME=' >> makefile
           echo 'FLUSH=' >> makefile
           echo 'BLAS=blas.o' >> makefile
           echo 'LAPACK=lapack.o' >> makefile
           echo 'CDABS=cdabs.o' >> makefile
           echo 'GULPENV=' >> makefile
           echo 'DEFS=' >> makefile
           echo 'CPP=/lib/cpp -traditional ' >> makefile
           ;;
#
# Add new OS hereafter
#
#  <output of uname -s>) dir="{os}${debug}"
#                        makedir
#                        <options>
#                        ...
#
# This is an unknown operating system.
#
  *)       echo "Sorry, I don't know the operating system '$os'."
           echo "Edit 'getmachine' to include the required options."
           exit 1
           ;;
esac
cat ../Makefile >> makefile
make $target
rm -f makefile
#if [ "$debug" = "" ]
#then
#  strip gulp
#fi

if [ "$target" = "lib_" ]
then
#
# Move library to top of GULP tree
#
mv libgulp.a ../../libgulp.a
elif [ "$target" = "gulp_" ]
then
#
# Move executable back to level at which make command was issued
#
mv gulp ../gulp
fi

I am having difficulty installing the GULP on my Ubuntu system. Can anyone one help me out with the installation?