LINUX-PGI

#INFO#
#INFO# Configuration to build a serial cpmd executable for a linux pc using 
#INFO# the Portland Group Fortran compiler pgf90.
#INFO#
#INFO# use '-tp p7' in FFLAGS to optimize for intel pentium iv cpus
#INFO# use '-tp p6' in FFLAGS to optimize for intel pentium iii or amd athlon cpus
#INFO# use '-tp px' in FFLAGS to optimize for a generic x86 cpu, recommended.
#INFO#
#INFO# Since the newer Portland use shared runtime libraries by default,
#INFO# the creation of static binaries (-Bstatic) 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# For optimal performance use either a combined LAPACK/ATLAS library (see the 
#INFO# atlas manual for instructions) or the intel math kernel library (MKL); 
#INFO# you can use the pentium iii version of the mkl on amd athlon cpus.
#INFO# e.g. LFLAGS=-L/opt/intel/mkl/lib/32 -lmkl_lapack -lmkl_p3  -Bstatic
#INFO#
#INFO# see <http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html>
#INFO# for more information on compiling and running CPMD on x86 linux machines.
#INFO#
#INFO# NOTE: CPMD cannot be compiled with the GNU Fortran compiler.
#INFO#
     IRAT=2
     FC='pgf90'
     CC='gcc'
     LD='pgf90'
     CPP='/lib/cpp -P -C -traditional'
     CPPFLAGS='-D__Linux  -D__HAS_FFT_DEFAULT -D__HAS_EXTERNAL_C_ERF '
     FFLAGS_GROMOS=' $(FFLAGS)'
     FFLAGS_GROMOS_MODULES=' $(FFLAGS)'
     CPPFLAGS_GROMOS='-DEWALD -DEWATCUT -DHAT_SHAPE -DUNPACKED_GRID '
     if [ $debug ]; then
       FFLAGS='-g -Mr8 -pc64 -Msignextend -Msecond_underscore'
       CFLAGS='-g -Wall'
     else
       FFLAGS='-fast -tp px -Mr8 -pc64 -Msignextend -Msecond_underscore'
       CFLAGS='-O2 -Wall -tp px'
     fi
     if [ $omp ]; then
       echo "OMP settings not available!"
       exit 1
       LIBS='-L$(PGI)/linux86/lib -llapack -lblas -lpgc -lpgftnrtl'
     else
       LIBS='-L$(PGI)/linux86/lib -llapack -lblas -lpgc -lpgftnrtl'
     fi
     LFLAGS=' '${LIBS}