| 46 |
|
# MPICH include path |
| 47 |
|
MPI_INC=@MPI_INC@ |
| 48 |
|
|
| 49 |
+ |
# MODDIRFLAG |
| 50 |
+ |
MODDIRFLAG=@MODDIRFLAG@ |
| 51 |
+ |
|
| 52 |
|
# MPI F90 Module path |
| 53 |
|
MPI_F90_MODS=@MPI_F90_MODS@ |
| 54 |
|
|
| 98 |
|
# C++ flags |
| 99 |
|
CXXFLAGS_C=@CXXFLAGS@ |
| 100 |
|
|
| 101 |
+ |
# C++ template flags |
| 102 |
+ |
OOPSE_TEMPLATE_FLAGS=@OOPSE_TEMPLATE_FLAGS@ |
| 103 |
+ |
|
| 104 |
+ |
# C++ namespace flags |
| 105 |
+ |
EXTRA_CC_FLAG=@EXTRA_CC_FLAG@ |
| 106 |
+ |
|
| 107 |
|
# Preprocessor flag for fortran |
| 108 |
|
PREPFLAG=@PREPFLAG@ |
| 109 |
|
|
| 111 |
|
PREPDEFFLAG=@PREPDEFFLAG@ |
| 112 |
|
|
| 113 |
|
# Fortran flags |
| 114 |
< |
FFLAGS_C=@F90FLAGS@ |
| 114 |
> |
FFLAGS_C=@FFLAGS@ |
| 115 |
|
|
| 116 |
+ |
# Fortran90 flags |
| 117 |
+ |
F90FLAGS_C=@F90FLAGS@ |
| 118 |
+ |
|
| 119 |
|
# LDFLAGS |
| 120 |
|
LDFLAGS=@LDFLAGS@ |
| 121 |
|
|
| 127 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
| 128 |
|
|
| 129 |
|
INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) |
| 130 |
< |
MPI_INCLUDES= -I$(MPI_INC) $(MPI_F90_MODS) |
| 130 |
> |
MPI_INCLUDES= -I$(MPI_INC) $(MODDIRFLAG)$(MPI_F90_MODS) |
| 131 |
|
|
| 132 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) |
| 133 |
< |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
| 133 |
> |
CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
| 134 |
|
FFLAGS=$(PREPFLAG) $(FFLAGS_C) |
| 135 |
+ |
F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) |
| 136 |
|
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES) |
| 137 |
|
|
| 138 |
|
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
| 139 |
|
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
| 140 |
< |
MPI_FFLAGS=$(FFLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES) |
| 140 |
> |
MPI_F90FLAGS=$(F90FLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES) |
| 141 |
|
|
| 142 |
< |
SRC_DIR := $(PWD) |
| 142 |
> |
SRC_DIR := .. |
| 143 |
|
|
| 144 |
|
# Then do the compile rules: |
| 145 |
|
|
| 146 |
|
obj/%.o: %.F90 |
| 147 |
< |
cd obj; $(F90) $(FFLAGS) -c $(SRC_DIR)/$< |
| 147 |
> |
cd obj; $(F90) $(F90FLAGS) -c $(SRC_DIR)/$< |
| 148 |
|
|
| 149 |
|
MPIobj/%.o: %.F90 |
| 150 |
< |
cd MPIobj; $(F90) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
| 150 |
> |
cd MPIobj; $(F90) $(MPI_F90FLAGS) -c $(SRC_DIR)/$< |
| 151 |
|
|
| 152 |
|
obj/%.o: %.cpp |
| 153 |
|
cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
| 175 |
|
$(DIR)/BondExtensions.cpp \ |
| 176 |
|
$(DIR)/DirectionalAtom.cpp \ |
| 177 |
|
$(DIR)/DumpWriter.cpp \ |
| 178 |
+ |
$(DIR)/DumpReader.cpp \ |
| 179 |
|
$(DIR)/Exclude.cpp \ |
| 180 |
|
$(DIR)/InitializeFromFile.cpp \ |
| 181 |
|
$(DIR)/LJFF.cpp \ |
| 194 |
|
$(DIR)/ForceFields.cpp \ |
| 195 |
|
$(DIR)/mpiSimulation.cpp \ |
| 196 |
|
$(DIR)/Molecule.cpp \ |
| 197 |
+ |
$(DIR)/NPT.cpp \ |
| 198 |
|
$(DIR)/NPTf.cpp \ |
| 199 |
|
$(DIR)/NPTi.cpp \ |
| 200 |
< |
$(DIR)/NPTim.cpp \ |
| 186 |
< |
$(DIR)/NPTxym.cpp \ |
| 187 |
< |
$(DIR)/NPTzm.cpp \ |
| 200 |
> |
$(DIR)/NPTxyz.cpp \ |
| 201 |
|
$(DIR)/NVT.cpp \ |
| 189 |
– |
$(DIR)/NPTfm.cpp \ |
| 202 |
|
$(DIR)/SimState.cpp \ |
| 203 |
|
$(DIR)/ZConstraint.cpp \ |
| 204 |
|
$(DIR)/ZConsWriter.cpp \ |
