Changeset 6012d3f
- Timestamp:
- 11/19/09 11:29:33 (14 years ago)
- Branches:
- master
- Children:
- 30644a9
- Parents:
- c021909
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
Makefile
rc021909 r6012d3f 18 18 19 19 # ==================================== Variables for compiling and linking 20 #L_FLAGS=-g20 L_FLAGS=-g 21 21 # Linker flags 22 22 # Default flags, e.g., for gfortran, g77 23 L_FLAGS=-O2 -g23 #L_FLAGS=-O2 -g 24 24 25 25 # Flags for Intel's ifort 26 # L_FLAGS=-O3 -axW-g27 26 #L_FLAGS=-O3 -axT -g 27 #L_FLAGS=-fast -parallel 28 28 # FLAGS for Cray 29 29 # L_FLAGS=-fastsse -Mipa … … 37 37 # Compiler flags 38 38 # Default flags, e.g., for gfortran, g77 39 F_FLAGS=-c -O2 -g39 #F_FLAGS=-c -O2 -g 40 40 # Flags for Intel's ifort 41 # F_FLAGS=-c -O3 -axW -g 41 #F_FLAGS=-c -O3 -axT -g 42 #F_FLAGS=-c -fast -parallel 42 43 # Flags for debugging build 43 #F_FLAGS=-c -O0 -g44 F_FLAGS=-c -O0 -g 44 45 # FLAGS for Cray 45 46 # F_FLAGS=-c -fastsse -Mipa … … 51 52 52 53 # Select your compiler 53 #F90=ifort54 F90=ifort 54 55 #F90=pgf90 55 56 #F90=xlf 56 F90=gfortran57 #F90=gfortran 57 58 MPIF90=mpif90 58 59 … … 68 69 init_energy.o init_molecule.o gradient.o energy.o \ 69 70 regul.o nursvr.o twister.o eninteract.o bgs.o eyabgn.o enylun.o utilities.o\ 70 partem_s.o esolan.o opesol.o 71 partem_s.o esolan.o opesol.o init_lund.o 71 72 #_________Serial implementation of ECEPP/3 and solvent 72 73 SOBJ=enyshe.o enysol.o … … 84 85 85 86 86 pyInterface=init_molecule init_energy mulcan_par mulcan_sim \ 87 init_lund sgrnd energy helix zimmer rgyr rmsdfun \ 88 anneal canon outpdb minim regul contacts interhbond hbond 87 pyInterface=init_molecule init_energy 88 #mulcan_par mulcan_sim \ 89 #init_lund sgrnd energy helix zimmer rgyr rmsdfun \ 90 #anneal canon outpdb minim regul contacts interhbond hbond setvar\ 91 #enysol 89 92 # metropolis 90 93 # ============================================== Linking … … 125 128 pybind: $(FILES) 126 129 #./rmexclpoint.py $(FILES) 127 f2py -c -m smmp smmp.pyf $(FILES) --f90exec=$(F90) --f77exec=$(F90) 130 # f2py -c -m smmp min_smmp.pyf $(FILES) --fcompiler=gnu95 128 131 #./restoreexclpoint.py $(FILES) 129 132 130 133 newpybind: $(FILES) 131 134 ./rmexclpoint.py $(FILES) 132 mv smmp.pyf smmp.pyf.bak133 f2py -h smmp.pyf -m smmp only: ${pyInterface} : $(FILES)135 # mv smmp.pyf smmp.pyf.bak 136 f2py -h min_smmp.pyf -m smmp only: ${pyInterface} : $(FILES) 134 137 ./restoreexclpoint.py $(FILES) 135 138
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