# MOLPRO CONFIG generated at Tue Nov 27 11:16:30 PST 2007 with version 2006.1
#               for host xbit, architecture unix unix-i4 unix-linux
#
#  insert additional hosts before xbit in above line, if desired
#
ARCHITECTURE="unix unix-i4 unix-linux mpp"



# Compilers ..
CC="gcc -Dpgf90"
FC="/usr/pgi_rel/linux86/7.1-2/bin/pgf90 -pc 64 -i4 "
F90="/usr/pgi_rel/linux86/7.1-2/bin/pgf90 -pc 64 -i4 "
# compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP
LINKFC="/usr/pgi_rel/linux86/7.1-2/bin/pgf90 -pc 64 -i4 "
YACC="bison -b y"
ARFLAGS="-r"
PERL="1"
PERLEXE="/usr/local/bin/perl"
PERLVERSION="5.008003"
# C defines
# nb	SEEK is disk seek speed in seconds
#	SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O3"
FOPT="-fast"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000   -DLARGEFILES -DUSE_MPI=mpich -DMPIGM_FORMAT=1 -DZLIB -DHAVE_INTTYPES_H   -DMA_ALLOC -DMOLPROC_PAR"
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT=" "
FOPT1="-O1"
FOPT2="-O2"
FOPT3="-O3"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS="mpp eaf blas0"
# additional directories to be compiled in mpp case
MPPDIR="mpp"
SLATERDIR=""
# additional libraries and link options
LIBS="  -lz"
LINKOPT=" "
# non-standard location of system libraries
LIBDIR="/local/home/ga-4-0-8/lib/LINUX"
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB=""
# LAPACK library
LAPACKLIB=""
# MPP?
MPP="1"
MPPX="0"
SLATER=0
WRAPPER="/usr/pgi_rel/linux86/7.1/mpi/mpich/bin/mpirun"
USE_MPI="1"
USE_LAPI=""
USE_MYRINET=""
MPI_LIB="-L/usr/pgi/linux86/7.1/mpi/mpich/lib -lmpich"
MPPNAME="mpi"
ARCHNAME="p4"
MPITYPE="mpich"
MPIBASEDIR="/usr/pgi/linux86/7.1/mpi/mpich"
MYRINET_LIB=""
MYRINET_LINKPARS="-lpthread"
MPIGM_FORMAT="1"
USE_GIO="0"
USE_GATOOLS="0"
# files in src/ to be compiled without optimization
F77VERSION="pgf90 7.1-2 32-bit target on x86 Linux -tp piv "
FORTVERSION="pgf7.1-2"
NO_OPT="casvb/symut_cvb.f Molcas/relsew.f"
F_OPT1="mrci/citrdm.f blas/lapack1.f casvb/ci_cvb.f seward/qzit.f"
F_OPT2="mrci/cigvec.f"
F_OPT3=" "
C_OPT1=" "
C_OPT2=" "
# ranlib command (if not needed, true)
RANLIB="true"
# ls command to get user and group
LSFULL="ls -l"
# cp -p if it exists, else cp
CP="cp -p"
# tar command
TAR="tar"
# awk command
AWK="awk"
# strip command
STRIP="strip"
# installation directories
INSTBIN="/usr/local/bin"
INSTLIB="/usr/local/lib/molpro-mpp-Linux-i686-i4-2006.1"
INSTHTML="/home/public_html/molpro/molpro2006.1"
INSTCGI="/home/public_html/molpro/molpro2006.1"
# makedepend configuration
MAKEDEPEND_OPTIONS=""
MODULE_SUFFIX="mod"
MODULE_FLAG="-I"
# non-default libraries
LIBDIR_mpi=/local/home/ga-4-0-8/lib/LINUX
WRAPPER_mpi=/usr/pgi_rel/linux86/7.1/mpi/mpich/bin/mpirun
PARSE=parse-i686-pc-linux-gnu-i4.o.gz