# MOLPRO CONFIG generated at Tue Nov 27 10:54:49 PST 2007 with version 2006.1 # for host canyon, architecture unix unix-i8 unix-linux unix-linux-x86_64 # # insert additional hosts before canyon in above line, if desired # ARCHITECTURE="unix unix-i8 unix-linux unix-linux-x86_64" # Compilers .. CC="gcc -Dpgf90 -DI64 -m64" FC="/usr/pgi_rel/linux86-64/7.1-2/bin/pgf90 -pc 64 -i8 -Mcache_align " F90="/usr/pgi_rel/linux86-64/7.1-2/bin/pgf90 -pc 64 -i8 -Mcache_align " # compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP LINKFC="/usr/pgi_rel/linux86-64/7.1-2/bin/pgf90 -pc 64 -i8 -Mcache_align " YACC="bison -b y" ARFLAGS="-r" PERL="1" PERLEXE="/usr/local/bin/perl" PERLVERSION="5.008001" # C defines # nb SEEK is disk seek speed in seconds # SPEED is disk transfer rate in 8 bytes/second # compiler optimisation COPT="-O3" FOPT="-fastsse" # compiler explicit no optimisation CDEF="-DSEEK=.001 -DSPEED=200000 -DLARGEFILES -DZLIB -DHAVE_INTTYPES_H " 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="lapack blas1 blas2 blas3" # additional directories to be compiled in mpp case MPPDIR="" SLATERDIR="" # additional libraries and link options LIBS=" -lz" LINKOPT=" -Bstatic" # non-standard location of system libraries LIBDIR="" # GKS X-windows library GKSLIB="-lgks0" # BLAS library BLASLIB="-L/usr/pgi_rel/linux86-64/7.1-2/lib -lacml_mv -lacml" # LAPACK library LAPACKLIB="" # MPP? MPP="0" MPPX="0" SLATER=0 WRAPPER="" USE_MPI="" USE_LAPI="" USE_MYRINET="" MPI_LIB="" MPPNAME="" ARCHNAME="x86_64" MPITYPE="" MPIBASEDIR="" 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 64-bit target on x86-64 Linux -tp k8-64 " FORTVERSION="pgf7.1-2" NO_OPT="" F_OPT1="casvb/ci_cvb.f lx/coulomb.f local/opdom.f" F_OPT2=" " 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-Linux-x86_64-i8-2006.1" INSTHTML="/home/user/public_html/molpro/molpro2006.1" INSTCGI="/home/user/public_html/molpro/molpro2006.1" # makedepend configuration MAKEDEPEND_OPTIONS="" MODULE_SUFFIX="mod" MODULE_FLAG="-I" # non-default libraries BLASLIB_x86_64="-L/usr/pgi_rel/linux86-64/7.1-2/lib -lacml_mv -lacml" PARSE=parse-x86_64-unknown-linux-gnu-i8.o.gz