Changeset 6012d3f for Makefile

Timestamp:

11/19/09 11:29:33 (14 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

30644a9

Parents:

c021909

Message:

Include init_lund in dependencies.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@30 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• Makefile (modified) (6 diffs)

Makefile

@@ -18 +18 @@
 
 # ==================================== Variables for compiling and linking
-# L_FLAGS=-g
+L_FLAGS=-g
 # Linker flags
 # Default flags, e.g., for gfortran, g77
-L_FLAGS=-O2 -g
+#L_FLAGS=-O2 -g
 
 # Flags for Intel's ifort
-# L_FLAGS=-O3 -axW -g
-
+#L_FLAGS=-O3 -axT -g
+#L_FLAGS=-fast -parallel
 # FLAGS for Cray
 # L_FLAGS=-fastsse -Mipa
@@ -37 +37 @@
 # Compiler flags
 # Default flags, e.g., for gfortran, g77
-F_FLAGS=-c -O2 -g
+#F_FLAGS=-c -O2 -g
 # Flags for Intel's ifort
-# F_FLAGS=-c -O3 -axW -g
+#F_FLAGS=-c -O3 -axT -g
+#F_FLAGS=-c -fast -parallel
 # Flags for debugging build
-# F_FLAGS=-c -O0 -g
+ F_FLAGS=-c -O0 -g
 # FLAGS for Cray
 # F_FLAGS=-c -fastsse -Mipa
@@ -51 +52 @@
 
 # Select your compiler
-#F90=ifort
+F90=ifort
 #F90=pgf90
 #F90=xlf
-F90=gfortran
+#F90=gfortran
 MPIF90=mpif90
 
@@ -68 +69 @@
 init_energy.o init_molecule.o gradient.o energy.o \
 regul.o nursvr.o twister.o eninteract.o bgs.o eyabgn.o enylun.o utilities.o\
-partem_s.o esolan.o opesol.o
+partem_s.o esolan.o opesol.o init_lund.o
 #_________Serial implementation of ECEPP/3 and solvent
 SOBJ=enyshe.o enysol.o
@@ -84 +85 @@
 
 
-pyInterface=init_molecule init_energy mulcan_par mulcan_sim \
-init_lund sgrnd energy helix zimmer rgyr rmsdfun \
-anneal canon  outpdb  minim  regul contacts interhbond hbond
+pyInterface=init_molecule init_energy 
+#mulcan_par mulcan_sim \
+#init_lund sgrnd energy helix zimmer rgyr rmsdfun \
+#anneal canon  outpdb  minim  regul contacts interhbond hbond setvar\
+#enysol
 # metropolis
 # ============================================== Linking
@@ -125 +128 @@
 pybind: $(FILES)
         #./rmexclpoint.py $(FILES)
-        f2py -c -m smmp smmp.pyf $(FILES) --f90exec=$(F90) --f77exec=$(F90)
+#       f2py -c -m smmp min_smmp.pyf $(FILES) --fcompiler=gnu95
         #./restoreexclpoint.py $(FILES)
 
 newpybind: $(FILES)
         ./rmexclpoint.py $(FILES)
-        mv smmp.pyf smmp.pyf.bak
-        f2py -h smmp.pyf -m smmp only: ${pyInterface} : $(FILES)
+#       mv smmp.pyf smmp.pyf.bak
+        f2py -h min_smmp.pyf -m smmp only: ${pyInterface} : $(FILES)
         ./restoreexclpoint.py $(FILES)