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 \ |