LINUX-AMD64-PATHSCALE

#INFO#
#INFO# Configuration to build a serial cpmd executable for a linux machine
#INFO# with an AMD64 bit cpu (Opteron/AthlonFX/Athlon64) using 
#INFO# the Pathscale EKO Fortran compiler pathf90.
#INFO#
#INFO# Since the Pathscale compilers use shared runtime libraries by default,
#INFO# the creation of static binaries (-Wl,-static) is highly recommended for optimal 
#INFO# portability of the binary. With a dynamic binary you have to install
#INFO# the same shared runtime libraries on _every_ machine, where you want to run cpmd.
#INFO#
#INFO# Pathscale version 1.0-30.2140 was tested ok on SuSE 9.0.
#INFO# Full optimization (-Ofast) does not work, though.
#INFO# To successfully link static binaries, you have to remove the incompatible
#INFO# exponential runtime function by executing: 
#INFO#  ar dv /opt/pathscale/lib/1.0/libmpath.a w_exp.o
#INFO#
#INFO# For optimal performance you should use a specifically tuned BLAS/LAPACK
#INFO# library. ACML is officially unsupported, ATLAS version 3.6 was tested ok.
#INFO#
#INFO# see http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html
#INFO# for more information on compilind and running CPMD on linux machines.
#INFO#
#INFO# NOTE: CPMD cannot be compiled with the GNU Fortran compiler.
#INFO#
     IRAT=2
     FC='pathf90'
     CC='gcc'
     LD='pathf90'
     CPP='/lib/cpp -P -C -traditional'
     CPPFLAGS='-D__Linux  -D__HAS_FFT_DEFAULT  '
     FFLAGS_GROMOS=' $(FFLAGS)'
     FFLAGS_GROMOS_MODULES=' $(FFLAGS)'
     if [ $debug ]; then
       FFLAGS='-g -r8 -d8 '
       CFLAGS='-m64 -g'
     else
       FFLAGS='-O -64 -r8 -d8 '
       CFLAGS='-O2 -Wall -m64'
     fi
     if [ $omp ]; then
       echo "OMP settings not available!"
       exit 1
       LIBS='-L. -latlas_x86_64 -Wl,-Bstatic'
     else
       LIBS='-L. -latlas_x86_64 -Wl,-Bstatic'
     fi
     LFLAGS=' '${LIBS}