51 |
|
minimizers \ |
52 |
|
selection \ |
53 |
|
restraints \ |
54 |
+ |
lattice \ |
55 |
+ |
openbabel |
56 |
|
|
57 |
|
#packages containing applications |
58 |
|
Applications = \ |
59 |
|
applications/oopse \ |
60 |
|
applications/dump2Xyz \ |
59 |
– |
applications/simpleBuilder\ |
61 |
|
applications/staticProps \ |
62 |
|
applications/dynamicProps \ |
63 |
+ |
applications/simpleBuilder\ |
64 |
+ |
applications/nanoRodBuilder \ |
65 |
+ |
applications/mdinConverter |
66 |
|
|
67 |
|
Samples = \ |
68 |
|
samples/argon \ |
69 |
< |
samples/water/dimer \ |
69 |
> |
samples/water/dimer \ |
70 |
|
samples/water/spce \ |
71 |
|
samples/water/ssd \ |
72 |
|
samples/water/ssde \ |
73 |
+ |
samples/water/ssdrf \ |
74 |
+ |
samples/water/ssd-ion \ |
75 |
|
samples/water/tip3p_ice \ |
76 |
|
samples/water/tip4p \ |
77 |
|
samples/lipid \ |
78 |
|
samples/alkane \ |
79 |
|
samples/minimizer \ |
80 |
|
samples/metals \ |
81 |
+ |
samples/thermoIntegration/liquid \ |
82 |
+ |
samples/thermoIntegration/solid \ |
83 |
+ |
samples/dipole \ |
84 |
+ |
samples/shape \ |
85 |
|
samples/zcons \ |
86 |
|
|
87 |
|
IncludeDirs = \ |
88 |
< |
@MPI_INC_DIR@ |
88 |
> |
@CGAL_INC_DIR@ \ |
89 |
> |
@MPI_INC_DIR@ |
90 |
|
|
91 |
|
LibraryDirs = \ |
92 |
+ |
@CGAL_LIB_DIR@ \ |
93 |
|
@MPI_LIB_DIR@ |
94 |
|
|
95 |
|
Libraries = \ |
96 |
+ |
@LIBS@ \ |
97 |
+ |
@CGAL_LIBS@ \ |
98 |
|
@MPI_LIB@ \ |
99 |
< |
@MPI_F90_LIB@ |
99 |
> |
@MPI_F90_LIB@ |
100 |
|
|
101 |
|
OopseHome = @OOPSE_HOME@ |
102 |
|
ForceParamDir = $(OopseHome)/share/forceFields |
127 |
|
ParallelTargetDir = $(DEV_ROOT)/MPIobj |
128 |
|
LibDir = $(DEV_ROOT)/lib |
129 |
|
MakeDir = $(DEV_ROOT)/make |
130 |
+ |
MainMakefile = $(MakeDir)/Makefile |
131 |
|
BinDir = $(DEV_ROOT)/bin |
132 |
|
DocsDir = $(DEV_ROOT)/docs |
133 |
|
CurrentDir = $(CURDIR) |
219 |
|
$(LexFiles:%.l= %.c) |
220 |
|
|
221 |
|
OtherTargetFiles = $(OtherSourceFiles:%=$(PackageTargetDir)/%) |
222 |
+ |
|
223 |
+ |
########################################################################### |
224 |
+ |
# |
225 |
+ |
# Figure out the names of the module files based on some work done by |
226 |
+ |
# configure. The tr function below is from John Graham-Cumming |
227 |
+ |
# (http://www.jgc.org). |
228 |
+ |
# |
229 |
+ |
# The tr function. Has three arguments: |
230 |
+ |
# |
231 |
+ |
# $1 The list of characters to translate from |
232 |
+ |
# $2 The list of characters to translate to |
233 |
+ |
# $3 The text to translate |
234 |
+ |
# |
235 |
+ |
# For example, $(call tr,A B C,1 2 3,CAPITAL) becomes 21PIT1L. |
236 |
+ |
|
237 |
+ |
tr = $(eval __t := $3) \ |
238 |
+ |
$(foreach c, \ |
239 |
+ |
$(join $(addsuffix :,$1),$2), \ |
240 |
+ |
$(eval __t := \ |
241 |
+ |
$(subst $(word 1,$(subst :, ,$c)),$(word 2,$(subst :, ,$c)), \ |
242 |
+ |
$(__t))))$(__t) |
243 |
+ |
|
244 |
+ |
# Common character classes for use with the tr function. Each of |
245 |
+ |
# these is actually a variable declaration and must be wrapped with |
246 |
+ |
# $() or ${} to be used. |
247 |
+ |
|
248 |
+ |
[A-Z] := A B C D E F G H I J K L M N O P Q R S T U V W X Y Z # |
249 |
+ |
[a-z] := a b c d e f g h i j k l m n o p q r s t u v w x y z # |
250 |
+ |
[0-9] := 0 1 2 3 4 5 6 7 8 9 # |
251 |
+ |
[A-F] := A B C D E F # |
252 |
+ |
|
253 |
+ |
# Figure out whether we have $(eval) or not (GNU Make 3.80 and above) |
254 |
+ |
# if we do not then we need to use the shell version of tr, and not the |
255 |
+ |
# faster tr function above: |
256 |
+ |
|
257 |
+ |
__have_eval := $(false) |
258 |
+ |
__ignore := $(eval __have_eval := $(true)) |
259 |
+ |
|
260 |
+ |
ifndef __have_eval |
261 |
+ |
uc = $(shell echo $1 | tr "a-z" "A-Z") |
262 |
+ |
lc = $(shell echo $1 | tr "A-Z" "a-z") |
263 |
+ |
else |
264 |
+ |
uc = $(call tr,$([a-z]),$([A-Z]),$1) |
265 |
+ |
lc = $(call tr,$([A-Z]),$([a-z]),$1) |
266 |
+ |
endif |
267 |
+ |
|
268 |
+ |
# OK, now we can actually use these functions to figure out the names |
269 |
+ |
# of the module files: |
270 |
+ |
|
271 |
+ |
ifneq "$(words $(Modules))" "0" |
272 |
+ |
ifeq "$(ModuleCase)" "UPPER" |
273 |
+ |
MODULES = $(call uc,$(Modules)) |
274 |
+ |
else |
275 |
+ |
ifeq "$(ModuleCase)" "lower" |
276 |
+ |
MODULES = $(call lc,$(Modules)) |
277 |
+ |
else |
278 |
+ |
MODULES = $(Modules) |
279 |
+ |
endif |
280 |
+ |
endif |
281 |
+ |
ModuleFiles = $(MODULES:%= $(PackageTargetDir)/%.$(ModSuffix)) |
282 |
+ |
ParallelModuleFiles = $(MODULES:%= $(PackageParallelTargetDir)/%.$(ModSuffix)) |
283 |
+ |
endif |
284 |
+ |
# |
285 |
+ |
########################################################################### |
286 |
|
|
287 |
|
ThirdPartyJarsTmp = $(patsubst %,$(LibDir)/%,$(JavaLibraries)) |
288 |
|
ThirdPartyJars = $(subst $(Space),$(X),$(ThirdPartyJarsTmp)) |
297 |
|
DependencyFile = $(PackageSourceDir)/Makedepend |
298 |
|
ifneq "$(words $(Main))" "0" |
299 |
|
Executable = $(BinDir)/$(Main) |
300 |
< |
ParallelExecutable = $(BinDir)/$(Main)_MPI |
300 |
> |
ifeq "$(BuiltParallelExe)" "1" |
301 |
> |
ParallelExecutable = $(BinDir)/$(Main)_MPI |
302 |
> |
endif |
303 |
|
else |
304 |
|
SharedLibrary = $(LibDir)/lib$(subst /,,$(patsubst %,oopse_%,$(Package)))_UP.so |
305 |
|
StaticLibrary = $(LibDir)/lib$(subst /,,$(patsubst %,oopse_%,$(Package)))_UP.a |
340 |
|
InstallScript = @INSTALL_SCRIPT@ |
341 |
|
InstallData = @INSTALL_DATA@ |
342 |
|
MkDir = @MKINSTALLDIRS@ |
343 |
< |
Delete = rm -fr |
343 |
> |
Delete = rm -f |
344 |
|
StaticArchiver = @AR@ |
345 |
|
DynamicArchiver = @CC@ |
346 |
|
FortranCompiler = @FC@ |
455 |
|
$(MkDir) $@ |
456 |
|
|
457 |
|
# .c -> .o |
458 |
< |
$(PackageTargetDir)/%.o : %.c |
458 |
> |
$(PackageTargetDir)/%.o : %.c $(MainMakefile) |
459 |
|
$(Print) $@ |
460 |
|
$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@ |
461 |
|
|
462 |
< |
$(PackageParallelTargetDir)/%.o : %.c |
462 |
> |
$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile) |
463 |
|
$(Print) $@ |
464 |
|
$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@ |
465 |
|
|
466 |
|
ifeq "$(UseMPI)" "yes" |
467 |
< |
%.o : %.c |
467 |
> |
%.o : %.c $(MainMakefile) |
468 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
469 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
470 |
|
else |
471 |
< |
%.o : %.c |
471 |
> |
%.o : %.c $(MainMakefile) |
472 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
473 |
|
endif |
474 |
|
|
475 |
|
# .cpp -> .o |
476 |
< |
$(PackageTargetDir)/%.o : %.cpp |
476 |
> |
$(PackageTargetDir)/%.o : %.cpp $(MainMakefile) |
477 |
|
$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@ |
478 |
|
|
479 |
< |
$(PackageParallelTargetDir)/%.o : %.cpp |
479 |
> |
$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile) |
480 |
|
$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@ |
481 |
|
|
482 |
|
ifeq "$(UseMPI)" "yes" |
483 |
< |
%.o : %.cpp |
483 |
> |
%.o : %.cpp $(MainMakefile) |
484 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
485 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
486 |
|
else |
487 |
< |
%.o : %.cpp |
487 |
> |
%.o : %.cpp $(MainMakefile) |
488 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
489 |
|
endif |
490 |
|
|
491 |
|
# .f -> .o |
492 |
< |
$(PackageTargetDir)/%.o : %.f |
492 |
> |
$(PackageTargetDir)/%.o : %.f $(MainMakefile) |
493 |
|
$(FortranCompiler) $(FortranOptions) -c $< -o $@ |
494 |
|
|
495 |
< |
$(PackageParallelTargetDir)/%.o : %.f |
495 |
> |
$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile) |
496 |
|
$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@ |
497 |
|
|
498 |
|
ifeq "$(UseMPI)" "yes" |
499 |
< |
%.o : %.f |
499 |
> |
%.o : %.f $(MainMakefile) |
500 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
501 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
502 |
|
else |
503 |
< |
%.o : %.f |
503 |
> |
%.o : %.f $(MainMakefile) |
504 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
505 |
|
endif |
506 |
|
|
507 |
|
# .F90 -> .o |
508 |
< |
$(PackageTargetDir)/%.o : %.F90 |
508 |
> |
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
509 |
|
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
510 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
511 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
512 |
|
fi |
513 |
|
|
514 |
< |
$(PackageParallelTargetDir)/%.o : %.F90 |
514 |
> |
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
515 |
|
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
516 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
517 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
518 |
|
fi |
519 |
|
|
520 |
|
ifeq "$(UseMPI)" "yes" |
521 |
< |
%.o : %.F90 |
521 |
> |
%.o : %.F90 $(MainMakefile) |
522 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
523 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
524 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
530 |
|
fi |
531 |
|
|
532 |
|
else |
533 |
< |
%.o : %.F90 |
533 |
> |
%.o : %.F90 $(MainMakefile) |
534 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
535 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
536 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
701 |
|
$(Executable) |
702 |
|
endif |
703 |
|
|
704 |
+ |
echo : $(PackageListLoop) |
705 |
+ |
$(Print) Done echo. |
706 |
|
|
707 |
+ |
_echoall : |
708 |
+ |
$(Print) $(Modules) |
709 |
+ |
|
710 |
|
# make clean |
711 |
|
clean : $(PackageListLoop) |
712 |
|
$(Print) Done clean. |
714 |
|
_cleanall : |
715 |
|
$(Delete) \ |
716 |
|
$(ObjectFiles) \ |
717 |
+ |
$(ModuleFiles) \ |
718 |
|
$(ParallelObjectFiles) \ |
719 |
+ |
$(ParallelModuleFiles) \ |
720 |
|
$(JarFile) \ |
721 |
|
$(SharedLibrary) \ |
722 |
|
$(StaticLibrary) \ |
822 |
|
$(Print) Done statistics. |
823 |
|
|
824 |
|
# make pure |
825 |
< |
$(Executable).pure : |
826 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
827 |
< |
$(LibList) $(ObjectFiles) -o $@ |
825 |
> |
#$(Executable).pure : |
826 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
827 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
828 |
> |
# |
829 |
> |
#pure : $(Executable).pure |
830 |
|
|
741 |
– |
pure : $(Executable).pure |
742 |
– |
|
831 |
|
#make cvslog |
832 |
|
cvslog: |
833 |
< |
$(DEV_ROOT)/scripts/cvs2cl.pl |
833 |
> |
$(DEV_ROOT)/scripts/cvs2cl |
834 |
|
|
835 |
|
# Execute |
836 |
|
_runexe : |