# MOLPRO CONFIG generated at Wed Jul 7 11:00:28 PDT 2004 with version 2002.6 # for host quadrant, architecture unix unix-i8 unix-linux unix-linux-x86_64 # # insert additional hosts before quadrant in above line, if desired # ARCHITECTURE="unix unix-i8 unix-linux unix-linux-x86_64" # Compilers .. CC="cc -Dpgf90 -DI64 -m64" FC="pgf90 -pc 64 -i8 -Mcache_align" F90="pgf90 -pc 64 -i8 -Mcache_align" # compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP LINKFC="pgf90 -pc 64 -i8 -fastsse" YACC="bison -b y" ARFLAGS="-r" # 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 -Mnoflushz" # 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="blas1 blas2 blas3" # additional directories to be compiled in mpp case MPPDIR="" # additional libraries and link options LIBS=" -lz" LINKOPT="-g77libs " # non-standard location of system libraries LIBDIR="" # GKS X-windows library GKSLIB="-lgks0" # BLAS library BLASLIB="-L/tmp/blaslibs/Linux_HAMMER64SSE2/lib -lcblas -lf77blas -latlas -Wl,-rpath,/tmp/blaslibs/Linux_HAMMER64SSE2/lib" # LAPACK library LAPACKLIB="" # MPP? MPP="0" MPPX="0" WRAPPER="" USE_MPI="" USE_LAPI="" USE_MYRINET="" MPI_LIB="" MPPNAME="" ARCHNAME="" MPITYPE="" MPIBASEDIR="" MYRINET_LIB="" MYRINET_LINKPARS="-lpthread" MPIGM_FORMAT="0" USE_GIO="0" # files in src/ to be compiled without optimization F77VERSION="pgf90 5.2-1" NO_OPT="util/iow.f util/displace.f dft/dftigrad.f ccsd/uccsd.f" F_OPT1=" " 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="/tmp/molpro2002.6/bin" INSTLIB="/tmp/molpro2002.6/lib" INSTHTML="" INSTCGI="" # makedepend configuration MAKEDEPEND_OPTIONS="" MODULE_SUFFIX="mod" # non-default libraries PARSE=parse-x86_64-unknown-linux-gnu-i8.o.gz