18 |
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19 |
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pkglib_LIBRARIES = libmdCode.a libMPImdCode.a |
20 |
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21 |
< |
pkginclude_HEADERS = AbstractClasses.hpp Atom.hpp ForceFields.hpp \ |
22 |
< |
Integrator.hpp ReadWrite.hpp SimInfo.hpp SimSetup.hpp SRI.hpp \ |
23 |
< |
Thermo.hpp Molecule.hpp randomSPRNG.hpp mpiForceField.h \ |
24 |
< |
mpiSimulation.hpp mpiComponentPlan.h fSimulation.h |
21 |
> |
pkginclude_HEADERS = AbstractClasses.hpp Atom.hpp ForceFields.hpp \ |
22 |
> |
Integrator.hpp ReadWrite.hpp SimInfo.hpp SimSetup.hpp SRI.hpp \ |
23 |
> |
Thermo.hpp Molecule.hpp randomSPRNG.hpp mpiForceField.h \ |
24 |
> |
mpiSimulation.hpp mpiComponentPlan.h fSimulation.h fortranWrappers.hpp \ |
25 |
> |
fortranWrapDefines.hpp |
26 |
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|
27 |
< |
libmdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
28 |
< |
BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
29 |
< |
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
30 |
< |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
31 |
< |
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
32 |
< |
Verlet.cpp randomSPRNG.cpp atype_typedefs.F90 f_verlet_constrained.f \ |
33 |
< |
generic_atype_recombination.F90 simulation_module.F90 lj_FF.F90 \ |
34 |
< |
wrappers.F90 forceFactory.F90 neighborLists.F90 ssd_FF.F90 |
27 |
> |
libmdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
28 |
> |
BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
29 |
> |
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
30 |
> |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
31 |
> |
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
32 |
> |
Verlet.cpp randomSPRNG.cpp fortranWrappers.cpp ForceFields.cpp \ |
33 |
> |
atype_typedefs.F90 f_verlet_constrained.f \ |
34 |
> |
generic_atype_recombination.F90 simulation_module.F90 lj_FF.F90 \ |
35 |
> |
wrappers.F90 forceFactory.F90 neighborLists.F90 |
36 |
|
|
37 |
+ |
libmdCode_a_CXXFLAGS = -DFRC_PATH="$(pkgdatadir)" $(AM_CXXFLAGS) |
38 |
+ |
|
39 |
+ |
|
40 |
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#compiler and machine dependent fortran definitions |
41 |
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42 |
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EXTRA_libmdCode_a_SOURCES = Linux_ifc_machdep.F90 |
43 |
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libmdCode_a_LIBADD = @fortran_machine_defs@ |
44 |
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45 |
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|
46 |
< |
#ssd_FF.F90 TraPPE_ExFF_module.F90 |
46 |
> |
#fortran module dependencies |
47 |
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|
48 |
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atype_typedefs.o: atype_typedefs.F90 @fortran_machine_defs@ |
49 |
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|
54 |
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lj_FF.o: lj_FF.F90 @fortran_machine_defs@ simulation_module.o generic_atype_recombination.o \ |
55 |
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atype_typedefs.o |
56 |
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|
57 |
< |
ssd_FF.o: ssd_FF.F89 @fortran_machine_defs@ simulation_module.o generic_atype_recombination.o \ |
58 |
< |
atype_typedefs.o |
57 |
> |
#ssd_FF.o: ssd_FF.F89 @fortran_machine_defs@ simulation_module.o generic_atype_recombination.o \ |
58 |
> |
# atype_typedefs.o |
59 |
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60 |
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wrappers.o: wrappers.F90 simulation_module.o @fortran_machine_defs@ |
61 |
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63 |
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64 |
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forceFactory.o: forceFactory.F90 lj_FF.o @fortran_machine_defs@ |
65 |
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61 |
– |
#ssd_FF.o: ssd_FF.F90 simulation_module.o generic_atype_recombination.o \ |
62 |
– |
# atype_typedefs.o |
66 |
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|
67 |
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|
68 |
|
#***************************************************************** |
74 |
|
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
75 |
|
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
76 |
|
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
77 |
< |
Verlet.cpp randomSPRNG.cpp f_verlet_constrained.f mpiForceField.c \ |
78 |
< |
mpiSimulation.cpp mpiSimulation_module.F90 |
77 |
> |
fortranWrappers.cpp ForceFields.cpp Verlet.cpp randomSPRNG.cpp \ |
78 |
> |
f_verlet_constrained.f mpiForceField.c mpiSimulation.cpp \ |
79 |
> |
mpiSimulation_module.F90 |
80 |
|
|
81 |
|
EXTRA_libMPImdCode_a_SOURCES = Linux_ifc_machdep.F90 |
82 |
|
|
95 |
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libMPImdCode_a-simulation_module.$(OBJEXT) \ |
96 |
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libMPImdCode_a-lj_FF.$(OBJEXT) libMPImdCode_a-wrappers.$(OBJEXT) \ |
97 |
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libMPImdCode_a-forceFactory.$(OBJEXT) \ |
98 |
< |
libMPImdCode_a-ssd_FF.$(OBJEXT) \ |
98 |
> |
#libMPImdCode_a-ssd_FF.$(OBJEXT) \ |
99 |
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libMPImdCode_a-neighborLists.$(OBJEXT) |
100 |
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|
101 |
|
libMPImdCode_a_CFLAGS = -DIS_MPI $(AM_CFLAGS) |
102 |
< |
libMPImdCode_a_CXXFLAGS = -DIS_MPI $(AM_CXXFLAGS) |
102 |
> |
libMPImdCode_a_CXXFLAGS = -DFRC_PATH="$(pkgdatadir)" -DIS_MPI $(AM_CXXFLAGS) |
103 |
|
libMPImdCode_a_FFLAGS = -DIS_MPI $(AM_FFLAGS) |
104 |
|
|
105 |
+ |
#fortran module dependencies |
106 |
|
|
102 |
– |
|
103 |
– |
#ssd_FF.F90 TraPPE_ExFF_module.F90 |
104 |
– |
|
107 |
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libMPImdCode_a-atype_typedefs.o: atype_typedefs.F90 @fortran_machine_defs@ |
108 |
|
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-atype_typedefs.o `test -f 'atype_typedefs.F90' || echo '$(srcdir)/'`atype_typedefs.F90 |
109 |
|
|
118 |
|
libMPImdCode_a-generic_atype_recombination.o libMPImdCode_a-atype_typedefs.o @fortran_machine_defs@ |
119 |
|
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-lj_FF.o `test -f 'lj_FF.F90' || echo '$(srcdir)/'`lj_FF.F90 |
120 |
|
|
121 |
< |
libMPImdCode_a-ssd_FF.o: ssd_FF.F90 libMPImdCode_a-simulation_module.o \ |
122 |
< |
libMPImdCode_a-generic_atype_recombination.o libMPImdCode_a-atype_typedefs.o @fortran_machine_defs@ |
123 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-ssd_FF.o `test -f 'ssd_FF.F90' || echo '$(srcdir)/'`ssd_FF.F90 |
121 |
> |
#libMPImdCode_a-ssd_FF.o: ssd_FF.F90 libMPImdCode_a-simulation_module.o \ |
122 |
> |
# libMPImdCode_a-generic_atype_recombination.o libMPImdCode_a-atype_typedefs.o @fortran_machine_defs@ |
123 |
> |
# $(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-ssd_FF.o `test -f 'ssd_FF.F90' || echo '$(srcdir)/'`ssd_FF.F90 |
124 |
|
|
125 |
|
libMPImdCode_a-wrappers.o: wrappers.F90 libMPImdCode_a-simulation_module.o @fortran_machine_defs@ |
126 |
|
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-wrappers.o `test -f 'wrappers.F90' || echo '$(srcdir)/'`wrappers.F90 |
134 |
|
|
135 |
|
mpiSimulation_module.o: mpiSimulation_module.F90 @fortran_machine_defs@ |
136 |
|
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o mpiSimulation_module.o `test -f 'mpiSimulation_module.F90' || echo '$(srcdir)/'`mpiSimulation_module.F90 |
135 |
– |
|
137 |
|
|
137 |
– |
#ssd_FF.o: ssd_FF.F90 simulation_module.o generic_atype_recombination.o \ |
138 |
– |
# atype_typedefs.o |
138 |
|
|
140 |
– |
|