#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 Portland Group Fortran compiler pgf90.
#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# You need at least PGI version 5.01 to have a correctly working executable.
#INFO# Older versions, including the beta versions, produce erroneous binaries.
#INFO#
#INFO# For optimal performance you should use a specifically tuned BLAS/LAPACK
#INFO# library. ACML version 1.0 and older do _not_ work correctly. ACML 2.0 was
#INFO# tested ok. ATLAS version 3.6 works as well.
#INFO#
#INFO# see http://www.theochem.ruhr-uni-bochum.de/~legacy.akohlmey/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
     CFLAGS=''
     CPP='/lib/cpp -P -C -traditional'
     CPPFLAGS='-D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DPOINTER8 -D__pgf90'
     FFLAGS='-r8 -pc=64 -Msignextend '
     LFLAGS='-Bstatic -L. -latlas_x86-64'
     FFLAGS_GROMOS='-Dgood_luck'
     if [ $debug ]; then
       FC='pgf90 -c -g'
       CC='gcc -g -Wall'
       LD='pgf90 -g'
     else
       FC='pgf90 -c -fast -tp k8-64'
       CC='gcc -O2 -Wall -m64'
       LD='pgf90 -fast -tp k8-64'
     fi