52 |
|
selection \ |
53 |
|
restraints \ |
54 |
|
lattice \ |
55 |
< |
|
55 |
> |
hydrodynamics \ |
56 |
> |
openbabel\ |
57 |
> |
antlr\ |
58 |
> |
mdParser |
59 |
|
#packages containing applications |
60 |
|
Applications = \ |
61 |
|
applications/oopse \ |
62 |
|
applications/dump2Xyz \ |
63 |
|
applications/staticProps \ |
64 |
|
applications/dynamicProps \ |
65 |
< |
applications/simpleBuilder\ |
65 |
> |
applications/simpleBuilder \ |
66 |
> |
applications/randomBuilder \ |
67 |
|
applications/nanoRodBuilder \ |
68 |
+ |
applications/nanoparticleBuilder \ |
69 |
+ |
applications/atom2mdin \ |
70 |
+ |
applications/hydrodynamics |
71 |
|
|
72 |
+ |
|
73 |
|
Samples = \ |
74 |
+ |
samples/alkane \ |
75 |
|
samples/argon \ |
76 |
+ |
samples/cutoff \ |
77 |
+ |
samples/dipole \ |
78 |
+ |
samples/gbljtest \ |
79 |
+ |
samples/lipid \ |
80 |
+ |
samples/metals/EAM \ |
81 |
+ |
samples/metals/EAM/nanoparticle \ |
82 |
+ |
samples/metals/EAM/nanorod \ |
83 |
+ |
samples/metals/Sutton-Chen \ |
84 |
+ |
samples/minimizer \ |
85 |
+ |
samples/shape \ |
86 |
+ |
samples/thermoIntegration/liquid \ |
87 |
+ |
samples/thermoIntegration/solid \ |
88 |
|
samples/water/dimer \ |
89 |
|
samples/water/spce \ |
90 |
|
samples/water/ssd \ |
93 |
|
samples/water/ssd-ion \ |
94 |
|
samples/water/tip3p_ice \ |
95 |
|
samples/water/tip4p \ |
96 |
< |
samples/lipid \ |
76 |
< |
samples/alkane \ |
77 |
< |
samples/minimizer \ |
78 |
< |
samples/metals \ |
79 |
< |
samples/thermoIntegration/liquid \ |
80 |
< |
samples/thermoIntegration/solid \ |
81 |
< |
samples/dipole \ |
82 |
< |
samples/shape \ |
83 |
< |
samples/zcons \ |
96 |
> |
samples/zcons |
97 |
|
|
98 |
|
IncludeDirs = \ |
99 |
+ |
@MPI_INC_DIR@ \ |
100 |
+ |
@FFTW_INC_DIR@ \ |
101 |
|
@CGAL_INC_DIR@ \ |
102 |
< |
@MPI_INC_DIR@ |
102 |
> |
@ZLIB_INC_DIR@ |
103 |
|
|
104 |
|
LibraryDirs = \ |
105 |
+ |
@MPI_LIB_DIR@ \ |
106 |
+ |
@FFTW_LIB_DIR@ \ |
107 |
|
@CGAL_LIB_DIR@ \ |
108 |
< |
@MPI_LIB_DIR@ |
108 |
> |
@ZLIB_LIB_DIR@ |
109 |
|
|
110 |
|
Libraries = \ |
111 |
|
@LIBS@ \ |
95 |
– |
@CGAL_LIBS@ \ |
112 |
|
@MPI_LIB@ \ |
113 |
< |
@MPI_F90_LIB@ |
113 |
> |
@MPI_F90_LIB@ \ |
114 |
> |
@FFTW_LIBS@ \ |
115 |
> |
@CGAL_LIBS@ \ |
116 |
> |
@ZLIB@ |
117 |
|
|
118 |
|
OopseHome = @OOPSE_HOME@ |
119 |
|
ForceParamDir = $(OopseHome)/share/forceFields |
122 |
|
DocDir = $(OopseHome)/doc |
123 |
|
FrcDeclare = -DFRC_PATH="$(ForceParamDir)" |
124 |
|
F90Declare = -D__FORTRAN90 |
125 |
+ |
UseSingle = @USE_SINGLE_PRECISION@ |
126 |
+ |
ifeq "$(UseSingle)" "yes" |
127 |
+ |
SingleDeclare = -DSINGLE_PRECISION |
128 |
+ |
else |
129 |
+ |
SingleDeclare = |
130 |
+ |
endif |
131 |
|
ParallelDeclare = -DIS_MPI |
132 |
+ |
SinglePrecision = -DSINGLE_PRECISION |
133 |
|
UseMPI = @USE_MPI@ |
134 |
|
ModuleCase = @F90_MODULE_NAMES@ |
135 |
|
ModSuffix = @MOD@ |
136 |
|
LinkOptions = \ |
137 |
< |
@F90LIBS@ |
137 |
> |
@LDFLAGS@ \ |
138 |
> |
@FCLIBS@ \ |
139 |
> |
@CXXFLAGS@ |
140 |
> |
|
141 |
|
|
142 |
|
ParallelLinkOptions = \ |
143 |
< |
@F90LIBS@ |
143 |
> |
@LDFLAGS@ \ |
144 |
> |
@FCLIBS@ \ |
145 |
> |
@CXXFLAGS@ |
146 |
|
|
147 |
|
|
148 |
|
#--------------------------------------------------------------------------- |
364 |
|
CppCompiler = @CXX@ |
365 |
|
Linker = @CXX@ |
366 |
|
MakeDepend = makedepend |
367 |
+ |
LN_S = @LN_S@ |
368 |
|
INSTALL = @INSTALL@ |
369 |
+ |
EGREP = @EGREP@ |
370 |
|
InstallProgram = @INSTALL_PROGRAM@ |
371 |
|
InstallScript = @INSTALL_SCRIPT@ |
372 |
|
InstallData = @INSTALL_DATA@ |
375 |
|
StaticArchiver = @AR@ |
376 |
|
DynamicArchiver = @CC@ |
377 |
|
FortranCompiler = @FC@ |
345 |
– |
F90Compiler = @F90@ |
378 |
|
JavaCompiler = $(JAVA_HOME)/bin/javac |
379 |
|
JavaArchiver = $(JAVA_HOME)/bin/jar |
380 |
|
JarSigner = $(JAVA_HOME)/bin/jarsigner |
398 |
|
JniOptions = |
399 |
|
RmiOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
400 |
|
-sourcepath $(SourceDir) |
401 |
< |
COptions = $(FrcDeclare) @CFLAGS@ |
402 |
< |
CParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CFLAGS@ |
403 |
< |
CppOptions = $(FrcDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
404 |
< |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
405 |
< |
FortranOptions = |
406 |
< |
F90Options = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) |
407 |
< |
F90ParallelOptions = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) |
401 |
> |
COptions = $(FrcDeclare) $(SingleDeclare) @CFLAGS@ |
402 |
> |
CParallelOptions = $(FrcDeclare) $(SingleDeclare) $(ParallelDeclare) @CFLAGS@ |
403 |
> |
CppOptions = $(FrcDeclare) $(SingleDeclare) @CXXFLAGS@ |
404 |
> |
CppParallelOptions = $(FrcDeclare) $(SingleDeclare) $(ParallelDeclare) @CXXFLAGS@ |
405 |
> |
ifeq "$(UseSingle)" "yes" |
406 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @PREPDEFFLAG@$(SingleDeclare) @FCFLAGS_SRCEXT@ |
407 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(SingleDeclare) @PREPDEFFLAG@$(ParallelDeclare) @FCFLAGS_SRCEXT@ |
408 |
> |
else |
409 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @FCFLAGS_SRCEXT@ |
410 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) @FCFLAGS_SRCEXT@ |
411 |
> |
endif |
412 |
|
JavaCompilerOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
413 |
|
-sourcepath $(SourceDir) -deprecation |
414 |
|
JavaRunOptions = -classpath $(ClassPath) |
453 |
|
InstallFiles = $(Executable) |
454 |
|
endif |
455 |
|
InstallCommand = $(InstallProgram) |
456 |
+ |
ifneq "$(words $(LinkTargets))" "0" |
457 |
+ |
MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) |
458 |
+ |
MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets)) |
459 |
+ |
endif |
460 |
|
endif |
461 |
|
|
462 |
|
ifneq "$(words $(ForcefieldFiles))" "0" |
544 |
|
|
545 |
|
# .F90 -> .o |
546 |
|
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
547 |
< |
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
547 |
> |
$(FortranCompiler) $(FortranOptions) $(IncludePath) -c $< -o $@ |
548 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
549 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
550 |
|
fi |
551 |
|
|
552 |
|
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
553 |
< |
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
553 |
> |
$(FortranCompiler) $(FortranParallelOptions) $(IncludePath) -c $< -o $@ |
554 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
555 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
556 |
|
fi |
675 |
|
$(Doxygen) $(DEV_ROOT)/make/Doxyfile |
676 |
|
|
677 |
|
#GUN make funtions to merge the libraries |
678 |
< |
find_objs = $(shell $(StaticArchiver) -t $(1)) |
678 |
> |
find_objs = $(shell $(StaticArchiver) -t $(1) | $(EGREP) -v "SYMDEF") |
679 |
|
extract_objs = $(shell $(StaticArchiver) -x $(1) $(call find_objs, $(1))) |
680 |
|
create_archive = $(shell $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1))) |
681 |
|
remove_objs = $(shell $(Delete) $(call find_objs, $(1))) |
682 |
|
do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1)) |
683 |
+ |
do_link = $(shell $(LN_S) $(1) $(2)) |
684 |
+ |
all_objs = $(foreach thisLib,$(LibNames), $(call find_objs, $(thisLib))) |
685 |
+ |
all_parallel_objs = $(foreach thisLib,$(ParallelLibNames), $(call find_objs, $(thisLib))) |
686 |
+ |
all_lib_objs = $(patsubst %,$(TargetDir)/%,$(call all_objs)) |
687 |
+ |
all_lib_parallel_objs = $(patsubst %,$(ParallelTargetDir)/%,$(call all_parallel_objs)) |
688 |
|
|
689 |
|
$(CombinedStaticLib) : $(LibDir)/.stamp_UP |
690 |
< |
$(Print) create $@ |
691 |
< |
$(foreach thisLib,$(LibNames),$(call do_create,$(thisLib),$@)) |
690 |
> |
$(Print) creating $@ |
691 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_objs) |
692 |
|
$(Ranlib) $(CombinedStaticLib) |
693 |
|
|
694 |
|
$(CombinedParallelStaticLib) : $(LibDir)/.stamp_MPI |
695 |
< |
$(Print) create $@ |
696 |
< |
$(foreach thisLib,$(ParallelLibNames), $(call do_create, $(thisLib), $@)) |
695 |
> |
$(Print) creating $@ |
696 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_parallel_objs) |
697 |
|
$(Ranlib) $(CombinedParallelStaticLib) |
698 |
|
|
699 |
|
# Executable |
700 |
< |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) $(BinDir) |
700 |
> |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) |
701 |
> |
if test ! -d $(BinDir); then \ |
702 |
> |
$(MkDir) $(BinDir) ;\ |
703 |
> |
fi |
704 |
|
$(Linker) $(ObjectFiles) $(CombinedStaticLib) $(LinkOptions) $(LibDirs) $(Libraries) -o $@ |
705 |
|
|
706 |
< |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) $(BinDir) |
706 |
> |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) |
707 |
> |
if test ! -d $(BinDir); then \ |
708 |
> |
$(MkDir) $(BinDir) ;\ |
709 |
> |
fi |
710 |
|
$(Linker) $(ParallelObjectFiles) $(CombinedParallelStaticLib) $(ParallelLinkOptions) $(LibDirs) $(Libraries) -o $@ |
711 |
|
|
712 |
|
# Anything else is just copied from source to target |
850 |
|
install : $(InstallListLoop) |
851 |
|
$(Print) Done Install |
852 |
|
|
853 |
< |
_installall : _buildall _installdata |
853 |
> |
_installall : _buildall _installdata _installlinks |
854 |
|
|
855 |
|
$(MyInstallDir) : |
856 |
|
$(MkDir) $@ |
861 |
|
$(InstallCommand) $(InstallFiles) $(MyInstallDir) |
862 |
|
endif |
863 |
|
|
864 |
+ |
_installlinks : $(MyInstallDir) |
865 |
+ |
ifneq "$(words $(MyLinkTargets))" "0" |
866 |
+ |
@cd $(MyInstallDir) |
867 |
+ |
$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink))) |
868 |
+ |
endif |
869 |
+ |
|
870 |
|
# make statistics |
871 |
|
_statisticsall : |
872 |
|
@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp |
877 |
|
$(Print) Done statistics. |
878 |
|
|
879 |
|
# make pure |
880 |
< |
$(Executable).pure : |
881 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
882 |
< |
$(LibList) $(ObjectFiles) -o $@ |
880 |
> |
#$(Executable).pure : |
881 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
882 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
883 |
> |
# |
884 |
> |
#pure : $(Executable).pure |
885 |
|
|
827 |
– |
pure : $(Executable).pure |
828 |
– |
|
886 |
|
#make cvslog |
887 |
|
cvslog: |
888 |
|
$(DEV_ROOT)/scripts/cvs2cl |