Sample update to Configure for Mac OSX (Darwin)


Author: Dave Case (based on work by Mengjuei Hsieh)
Date: 07/28/2004

Programs: All but pmemd

Description: This patch adds a "macosx" section to the configure script.
             Note that it assumes that "xlf90" is in your path; this is
             often in a directory like /opt/ibmcmp/xlf/8.1/bin/.  You
             should also place IBM's cpp in your path; this is usually
             in /opt/ibmcmp/xlf/8.1/exe.  Finally, this requires also 
             xlc to be in the path; gcc may work be this has not yet been
             tested.

Fix:  apply the following patch to amber8/src/configure

------------------------------------------------------------------------------
*** configure	21 Apr 2004 18:38:41 -0000	1.226
--- configure	28 Jul 2004 16:43:40 -0000
***************
*** 916,921 ****
--- 916,969 ----
      loadptraj="$load"
      ;;
  
+ xlf90_macosx|macosx)
+ 
+     xhome='/usr/X11R6'
+     libpath=/System/Library/Frameworks/Accelerate.framework
+     if [ -e $libpath/Accelerate ]; then
+         loadlib="$loadlib -Wl,-framework -Wl,Accelerate"
+         use_blas=VENDOR_SUPPLIED
+         use_lapack=VENDOR_SUPPLIED
+         fflags="-qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr"
+         foptflags="-qextname=ddot:fdate:flush:lsame:dscal:dnrm2:idamax:drot:dswap:dspmv:daxpy:dspr2:dgemm:dcopy:dgemv:dtrmv:dtrmm:dger:lsame:dspev:dgeev:dspevd:dsyev:dppsv:dspsv:dlamch:dsteqr:dgeqr2:dorm2r:dlacpy:dlarnv:dlascl:dlaset:dlartg:dlanst:dlaev2:dlapy2:dlasr"
+     fi
+     fppflags="$fppflags -DCLINK_PLAIN -Drs6000"
+     fpp=cpp
+     if [ $parallel = "mpi" ]; then
+         fppflags="$fppflags -DPOE"
+         fpp="$fpp -I/usr/lpp/ppe.poe/include"
+         fc='mpxlf90_r -bmaxdata:0x80000000'
+     else
+         fc=xlf90
+     fi
+     cc=xlc
+     altcc=gcc
+     cppflags="-DCLINK_PLAIN"
+     cflags="-O2 -Ddspev=dspev_"
+     cplusplus=g++
+     if [ $static = "yes" ]; then
+         static_flag='-bstatic'
+     fi
+     load="$fc $fflags $static_flag "
+     loadcc="$cc $static_flag"
+ 
+     fflags="$fflags -qfixed -c"
+     foptflags="$foptflags -qfixed -O3 -qmaxmem=-1 -qarch=auto -qtune=auto -c"
+     if [ $big = "yes" ]; then
+         echo "big option is not implemented yet."
+     fi
+     if [ $verbose = "yes" ]; then
+         verbosity='-qsource -qreport=hotlist'
+     fi
+     fflags="$fflags $bigness $verbosity"
+     foptflags="$foptflags $bigness $verbosity"
+     freeformat_flag='-qfree=f90'
+     ar='ar rvs '
+     ranlib=ranlib
+     loadptraj="$load"
+     m4='m4 -B50000'
+     ;;
+ 
  *)
      echo "Architecture/compiler $arch is not supported (?)" 1>&2
      usage
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