Changeset 5fef0d7 for Makefile

Timestamp:

09/02/10 10:25:36 (14 years ago)

Author:

Jan Meinke <j.meinke@…>

Branches:

master

Children:

225475c

Parents:

3fbbfbb

Message:

Changed module name from smmp to smmp_p.

Fixed conversion to residue and atom names.

File:

• Makefile (modified) (2 diffs)

Makefile

@@ -136 +136 @@
 # 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
+# f2py -c -m smmp_p 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)
@@ -144 +144 @@
 # 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
+        f2py -c -m smmp_p basic_smmp.pyf init_molecule.f init_energy.f bldmol.f nursvr.f pdbread.f redvar.f redseq.f outvar.f redstr.f enysol_p.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
 
 newbasicpybind: init_molecule.f init_energy.f energy.f utilities.f
-        f2py --overwrite-signature -h basic_smmp.pyf -m smmp init_molecule.f init_energy.f energy.f utilities.f
+        f2py --overwrite-signature -h basic_smmp.pyf -m smmp_p init_molecule.f init_energy.f energy.f utilities.f
 
 newpybind: $(FILES)