[AMBER-Developers] Patches to make PUPIL work

From: Ben Roberts <roberts.qtp.ufl.edu>
Date: Mon, 29 Mar 2010 15:46:56 -0400

Hi,

I've just done a bit of tweaking of the sander Makefile to make sander.PUPIL work again. Its linker path was broken, missing the necessary pbsa libraries, and parts of the linker path are system-specific. To address the latter, I've also made a slight change to configure.

Patch files (prepared using diff -u) are attached. Let me know if there are any questions.

Cheers,
Ben

--- Makefile.bak 2010-03-29 15:23:38.000000000 -0400
+++ Makefile 2010-03-29 15:28:39.000000000 -0400
.@ -262,11 +262,11 @@
 #---------------------------------------------------------------------------
 sander.PUPIL$(SFX): $(NETCDF) $(PUPILOBJ) $(QMOBJ) $(FULLPIMDOBJ) \
         $(LSCIVROBJ) syslib \
- nxtsec libsqm netlib configured_serial $(NCSU_OBJECTS)
+ nxtsec libsqm netlib libpbsa configured_serial $(NCSU_OBJECTS)
         $(FC) -o sander.PUPIL$(SFX) $(PUPILOBJ) $(QMOBJ) $(FULLPIMDOBJ) \
- $(LSCIVROBJ) $(LIBDIR)/libsqm.a $(FLIBSF) \
+ $(LSCIVROBJ) $(LIBDIR)/libsqm.a $(LIBDIR)/libFpbsa.a $(FLIBSF) \
         ../lib/nxtsec.o ../lib/sys.a $(NCSU_OBJECTS) $(NETCDFLIB) \
- -lrt -lm -lc -L${PUPIL_PATH}/lib -lPUPIL -lPUPILBlind $(LDFLAGS)
+ $(PUPILLIBS) $(LDFLAGS)
 
 #---------------------------------------------------------------------------
 sander.LES$(SFX): $(NETCDF) $(LESOBJ) $(PARTPIMDOBJ) syslib nxtsec netlib \


--- configure.bak 2010-03-29 15:10:44.000000000 -0400
+++ configure 2010-03-29 15:40:39.000000000 -0400
.@ -192,6 +192,7 @@
 # Platform specific:
 #-------------------------------------------------------------------------------
 if [ `uname -s|awk '{print $1}'` = "Darwin" ]; then
+ is_mac='yes'
     static='no'
     osx_version=`sw_vers -productVersion | awk '{print $1}'`
     case "$osx_version" in
.@ -1203,6 +1204,12 @@
     fi
 fi
 
+# Configure PUPIL support
+pupillibs="-lm -lc -L\${PUPIL_PATH}/lib -lPUPIL -lPUPILBlind"
+if [ "$is_mac" != 'yes' ]; then
+ pupillibs="-lrt $pupillibs"
+fi
+
 #------------------------------------------------------------------------------
 # Set up the mpi compilers:
 #------------------------------------------------------------------------------
.@ -1394,6 +1401,9 @@
 RISMSFF=$rismsff
 NABLIBRISM=$nablibrism
 SANDER_RISM_MPI=$sander_rism_mpi
+
+#PUPIL
+PUPILLIBS=$pupillibs
 EOD
 
 echo " "


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Received on Mon Mar 29 2010 - 13:00:03 PDT
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