Changeset 5272e0d

Timestamp:

06/15/10 09:29:31 (14 years ago)

Author:

Jan Meinke <j.meinke@…>

Branches:

master

Children:

281b862

Parents:

7137e5d

git-author:

Jan H. Meinke <meinke@…> (05/31/10 22:26:20)

git-committer:

Jan Meinke <j.meinke@…> (06/15/10 09:29:31)

Message:

Added ppybind target to Makefile

Added a new target for creating Python bindings that take advantage so enyshe_p
to the Makefile.
Commented out one call to the log file that broke the compile.

Files:

• Makefile (modified) (1 diff)
• init_molecule.f (modified) (1 diff)

Makefile

@@ -130 +130 @@
 
 # Build the python bindings
+# The following line includes the minimum set of files needed to fullfill all dependencies.
+#
+# f2py -c -m smmp basic_smmp.pyf init_molecule.f init_energy.f bldmol.f nursvr.f pdbread.f redvar.f redseq.f outvar.f redstr.f enysol.f setmvs.f mklist.f getmol.f helix.f contacts.f dihedr.f setvar.f init_lund.f90 rmsdfun.f addend.f difang.f
 pybind: $(FILES)
         #./rmexclpoint.py $(FILES)
 #       f2py -c -m smmp min_smmp.pyf $(FILES) --fcompiler=gnu95
         #./restoreexclpoint.py $(FILES)
+
+# Compile bindings that include enyshe_p
+ppybind: basic_smmp.pyf init_molecule.f init_energy.f bldmol.f nursvr.f pdbread.f redvar.f redseq.f outvar.f redstr.f enysol.f setmvs.f mklist.f getmol.f helix.f contacts.f dihedr.f setvar.f init_lund.f90 rmsdfun.f addend.f difang.f energy.f enyshe_p.f enyflx.f enylun.f eninteract.f enyreg.f eyabgn.f esolan.f gradient.f twister.f opesol.f opeflx.f opereg.f opeshe.f utilities.f
+        f2py -c -m smmp basic_smmp.pyf init_molecule.f init_energy.f bldmol.f nursvr.f pdbread.f redvar.f redseq.f outvar.f redstr.f enysol.f setmvs.f mklist.f getmol.f helix.f contacts.f dihedr.f setvar.f init_lund.f90 rmsdfun.f addend.f difang.f energy.f enyshe_p.f enyflx.f enylun.f eninteract.f enyreg.f eyabgn.f esolan.f gradient.f twister.f opesol.f opeflx.f opereg.f opeshe.f utilities.f -I/usr/lib/mpi/gcc/openmpi/include -I/usr/lib/mpi/gcc/openmpi/lib -L/usr/lib/mpi/gcc/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl  -lutil -lm -ldl
+
 
 newpybind: $(FILES)

init_molecule.f

@@ -100 +100 @@
          l=iendst(varfil)
          if (l.gt.0.and.varfil.ne.' ') then
-            write (logString, '(1x,a,/)') varfil(1:l)
+!            write (logString, '(1x,a,/)') varfil(1:l)
             lunvar=13