source: src/Makefile.am@ 129204

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 129204 was 129204, checked in by Frederik Heber <heber@…>, 14 years ago

Moved bond.* to Bond/, new class GraphEdge which contains graph parts of bond.

  • enums Shading and EdgeType are now part of GraphEdge, hence bigger change in the code where these are used.
  • Property mode set to 100644
File size: 12.8 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4SUBDIRS = \
5 Exceptions \
6 RandomNumbers \
7 Parser \
8 LinearAlgebra \
9 Shapes \
10 Graph \
11 Actions \
12 UIElements
13
14AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
15
16ATOMSOURCE = \
17 atom.cpp \
18 AtomicInfo.cpp \
19 atom_atominfo.cpp \
20 atom_bondedparticle.cpp \
21 atom_bondedparticleinfo.cpp \
22 atom_graphnode.cpp \
23 atom_graphnodeinfo.cpp \
24 atom_particleinfo.cpp
25ATOMHEADER = \
26 atom.hpp \
27 AtomicInfo.hpp \
28 atom_atominfo.hpp \
29 atom_bondedparticle.hpp \
30 atom_bondedparticleinfo.hpp \
31 atom_graphnode.hpp \
32 atom_graphnodeinfo.hpp \
33 atom_particleinfo.hpp
34
35ANALYSISSOURCE = \
36 analysis_bonds.cpp \
37 analysis_correlation.cpp
38ANALYSISHEADER = \
39 analysis_bonds.hpp \
40 analysis_correlation.hpp
41
42ACTIONSSOURCE = \
43 Actions/Action.cpp \
44 Actions/ActionHistory.cpp \
45 Actions/ActionRegistry.cpp \
46 Actions/ActionSequence.cpp \
47 Actions/ActionTraits.cpp \
48 Actions/ErrorAction.cpp \
49 Actions/MakroAction.cpp \
50 Actions/ManipulateAtomsProcess.cpp \
51 Actions/MethodAction.cpp \
52 Actions/OptionRegistry.cpp \
53 Actions/OptionTrait.cpp \
54 Actions/Process.cpp
55
56ACTIONSHEADER = \
57 Actions/Action.hpp \
58 Actions/ActionHistory.hpp \
59 Actions/ActionRegistry.hpp \
60 Actions/ActionSequence.hpp \
61 Actions/ActionTraits.hpp \
62 Actions/Calculation.hpp \
63 Actions/Calculation_impl.hpp \
64 Actions/ErrorAction.hpp \
65 Actions/MakroAction.hpp \
66 Actions/ManipulateAtomsProcess.hpp \
67 Actions/MethodAction.hpp \
68 Actions/OptionRegistry.hpp \
69 Actions/OptionTrait.hpp \
70 Actions/Process.hpp
71
72BONDSOURCE = \
73 Bond/bond.cpp \
74 Bond/GraphEdge.cpp
75
76BONDHEADER = \
77 Bond/bond.hpp \
78 Bond/GraphEdge.hpp
79
80DESCRIPTORSOURCE = \
81 Descriptors/AtomDescriptor.cpp \
82 Descriptors/AtomIdDescriptor.cpp \
83 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
84 Descriptors/AtomSelectionDescriptor.cpp \
85 Descriptors/AtomShapeDescriptor.cpp \
86 Descriptors/AtomTypeDescriptor.cpp \
87 Descriptors/MoleculeDescriptor.cpp \
88 Descriptors/MoleculeFormulaDescriptor.cpp \
89 Descriptors/MoleculeIdDescriptor.cpp \
90 Descriptors/MoleculeNameDescriptor.cpp \
91 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
92 Descriptors/MoleculeOrderDescriptor.cpp \
93 Descriptors/MoleculePtrDescriptor.cpp \
94 Descriptors/MoleculeSelectionDescriptor.cpp
95
96
97DESCRIPTORHEADER = \
98 Descriptors/AtomDescriptor.hpp \
99 Descriptors/AtomIdDescriptor.hpp \
100 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
101 Descriptors/AtomSelectionDescriptor.hpp \
102 Descriptors/AtomShapeDescriptor.hpp \
103 Descriptors/AtomTypeDescriptor.hpp \
104 Descriptors/MoleculeDescriptor.hpp \
105 Descriptors/MoleculeFormulaDescriptor.hpp \
106 Descriptors/MoleculeIdDescriptor.hpp \
107 Descriptors/MoleculeNameDescriptor.hpp \
108 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
109 Descriptors/MoleculeOrderDescriptor.hpp \
110 Descriptors/MoleculePtrDescriptor.hpp \
111 Descriptors/MoleculeSelectionDescriptor.hpp
112
113DESCRIPTORIMPLHEADER = \
114 Descriptors/AtomDescriptor_impl.hpp \
115 Descriptors/AtomIdDescriptor_impl.hpp \
116 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
117 Descriptors/AtomSelectionDescriptor_impl.hpp \
118 Descriptors/AtomShapeDescriptor_impl.hpp \
119 Descriptors/AtomTypeDescriptor_impl.hpp \
120 Descriptors/MoleculeDescriptor_impl.hpp \
121 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
122 Descriptors/MoleculeIdDescriptor_impl.hpp \
123 Descriptors/MoleculeNameDescriptor_impl.hpp \
124 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
125 Descriptors/MoleculeOrderDescriptor_impl.hpp \
126 Descriptors/MoleculePtrDescriptor_impl.hpp \
127 Descriptors/MoleculeSelectionDescriptor_impl.hpp
128
129DYNAMICSSOURCE = \
130 Dynamics/MinimiseConstrainedPotential.cpp
131
132DYNAMICSHEADER = \
133 Dynamics/LinearInterpolationBetweenSteps.hpp \
134 Dynamics/MinimiseConstrainedPotential.hpp \
135 Dynamics/OutputTemperature.hpp \
136 Dynamics/VerletForceIntegration.hpp
137
138GRAPHSOURCE = \
139 Graph/BondGraph.cpp
140
141GRAPHHEADER = \
142 Graph/BondGraph.hpp
143
144THERMOSTATSOURCE = \
145 Thermostats/Berendsen.cpp \
146 Thermostats/GaussianThermostat.cpp \
147 Thermostats/Langevin.cpp \
148 Thermostats/NoseHoover.cpp \
149 Thermostats/NoThermostat.cpp \
150 Thermostats/Thermostat.cpp \
151 Thermostats/Woodcock.cpp
152
153THERMOSTATHEADER = \
154 Thermostats/Berendsen.hpp \
155 Thermostats/GaussianThermostat.hpp \
156 Thermostats/Langevin.hpp \
157 Thermostats/NoseHoover.hpp \
158 Thermostats/NoThermostat.hpp \
159 Thermostats/Thermostat.hpp \
160 Thermostats/Woodcock.hpp
161
162TESSELATIONSOURCE = \
163 BoundaryLineSet.cpp \
164 BoundaryPointSet.cpp \
165 BoundaryPolygonSet.cpp \
166 BoundaryTriangleSet.cpp \
167 CandidateForTesselation.cpp \
168 tesselation.cpp \
169 tesselationhelpers.cpp \
170 TesselPoint.cpp
171
172TESSELATIONHEADER = \
173 BoundaryLineSet.hpp \
174 BoundaryPointSet.hpp \
175 BoundaryPolygonSet.hpp \
176 BoundaryTriangleSet.hpp \
177 CandidateForTesselation.hpp \
178 IPointCloud.hpp \
179 PointCloudAdaptor.hpp \
180 tesselation.hpp \
181 tesselationhelpers.hpp \
182 TesselPoint.hpp
183
184MOLECUILDERSOURCE = \
185 ${ANALYSISSOURCE} \
186 ${ACTIONSSOURCE} \
187 ${ATOMSOURCE} \
188 ${BONDSOURCE} \
189 ${DESCRIPTORSOURCE} \
190 ${DYNAMICSSOURCE} \
191 ${GRAPHSOURCE} \
192 ${RANDOMSOURCE} \
193 ${THERMOSTATSOURCE} \
194 ${TESSELATIONSOURCE} \
195 Helpers/defs.cpp \
196 Helpers/helpers.cpp \
197 boundary.cpp \
198 Box.cpp \
199 config.cpp \
200 ConfigFileBuffer.cpp \
201 element.cpp \
202 elements_db.cpp \
203 ellipsoid.cpp \
204 Formula.cpp \
205 graph.cpp \
206 linkedcell.cpp \
207 moleculelist.cpp \
208 molecule.cpp \
209 molecule_fragmentation.cpp \
210 molecule_geometry.cpp \
211 molecule_graph.cpp \
212 parser.cpp \
213 periodentafel.cpp \
214 ThermoStatContainer.cpp \
215 triangleintersectionlist.cpp \
216 UIElements/UIFactory.cpp \
217 World.cpp \
218 WorldTime.cpp
219
220MOLECUILDERHEADER = \
221 ${ANALYSISHEADER} \
222 ${ACTIONSHEADER} \
223 ${ATOMHEADER} \
224 ${BONDHEADER} \
225 ${DESCRIPTORHEADER} \
226 ${DESCRIPTORIMPLHEADER} \
227 ${DYNAMICSHEADER} \
228 ${GRAPHHEADER} \
229 ${RANDOMSOURCE} \
230 ${THERMOSTATHEADER} \
231 ${TESSELATIONHEADER} \
232 Helpers/defs.hpp \
233 Helpers/fast_functions.hpp \
234 Helpers/helpers.hpp \
235 boundary.hpp \
236 Box.hpp \
237 config.hpp \
238 ConfigFileBuffer.hpp \
239 element.hpp \
240 elements_db.hpp \
241 ellipsoid.hpp \
242 Formula.hpp \
243 graph.hpp \
244 linkedcell.hpp \
245 molecule.hpp \
246 parser.hpp \
247 periodentafel.hpp \
248 ThermoStatContainer.hpp \
249 triangleintersectionlist.hpp \
250 UIElements/UIFactory.hpp \
251 World.hpp \
252 WorldTime.hpp
253
254lib_LTLIBRARIES = libMolecuilder.la
255libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
256libMolecuilder_la_LIBADD = \
257 LinearAlgebra/libMolecuilderLinearAlgebra.la \
258 ${CodePatterns_LIBS} \
259 ${BOOST_PROGRAM_OPTIONS_LIB}
260
261nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
262
263## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
264## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
265## will therefore be treated as if it were literally part of the target name,
266## and the variable name derived from that.
267## The file extension .cc is recognized by Automake, and makes it produce
268## rules which invoke the C++ compiler to produce a libtool object file (.lo)
269## from each source file. Note that it is not necessary to list header files
270## which are already listed elsewhere in a _HEADERS variable assignment.
271libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE} $(srcdir)/version.c
272
273## Instruct libtool to include ABI version information in the generated shared
274## library file (.so). The library ABI version is defined in configure.ac, so
275## that all version information is kept in one place.
276libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
277
278## The generated configuration header is installed in its own subdirectory of
279## $(libdir). The reason for this is that the configuration information put
280## into this header file describes the target platform the installed library
281## has been built for. Thus the file must not be installed into a location
282## intended for architecture-independent files, as defined by the Filesystem
283## Hierarchy Standard (FHS).
284## The nodist_ prefix instructs Automake to not generate rules for including
285## the listed files in the distribution on 'make dist'. Files that are listed
286## in _HEADERS variables are normally included in the distribution, but the
287## configuration header file is generated at configure time and should not be
288## shipped with the source tarball.
289libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
290nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
291
292## Install the generated pkg-config file (.pc) into the expected location for
293## architecture-dependent package configuration information. Occasionally,
294## pkg-config files are also used for architecture-independent data packages,
295## in which case the correct install location would be $(datadir)/pkgconfig.
296pkgconfigdir = $(libdir)/pkgconfig
297pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
298
299
300BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) $(BOOST_PROGRAM_OPTIONS_LIB) $(BOOST_FILESYSTEM_LIB) $(BOOST_SYSTEM_LIB) $(BOOST_THREAD_LIB)
301INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
302
303noinst_LIBRARIES = libmenu.a
304bin_PROGRAMS = molecuilder molecuildergui joiner analyzer SubspaceFactorizer
305EXTRA_PROGRAMS = unity
306
307molecuilderdir = ${bindir}
308
309libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
310
311molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
312
313SubspaceFactorizer_CXXFLAGS = $(BOOST_CPPFLAGS)
314SubspaceFactorizer_SOURCES = SubspaceFactorizer.cpp Helpers/defs.cpp Helpers/defs.hpp Helpers/helpers.cpp Helpers/helpers.hpp
315SubspaceFactorizer_LDADD = \
316 LinearAlgebra/libMolecuilderLinearAlgebra.la \
317 Exceptions/libMolecuilderExceptions.la \
318 ${CodePatterns_LIBS} \
319 $(GSLLIB) \
320 $(BOOST_LIB)
321
322molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
323#molecuilder_CXXFLAGS += -DNO_CACHING
324molecuilder_LDFLAGS = $(BOOST_LIB)
325molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
326molecuilder_LDADD = \
327 UIElements/libMolecuilderUI.la \
328 Actions/libMolecuilderActions.la \
329 Graph/libMolecuilderGraph.la \
330 libMolecuilder.la \
331 Parser/libMolecuilderParser.la \
332 Shapes/libMolecuilderShapes.la \
333 LinearAlgebra/libMolecuilderLinearAlgebra.la \
334 Exceptions/libMolecuilderExceptions.la \
335 RandomNumbers/libMolecuilderRandomNumbers.la \
336 ${CodePatterns_LIBS} \
337 $(BOOST_LIB)
338
339#Stuff for building the GUI using Qt
340molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
341molecuildergui_CXXFLAGS = $(BOOST_CPPFLAGS) -DUSE_GUI_QT
342molecuildergui_LDFLAGS = $(BOOST_LIB)
343
344unity_SOURCES = unity.cpp
345unity_LDADD = $(BOOST_LIB)
346
347molecuildergui_LDADD = \
348 UIElements/libMolecuilderUI.la \
349 UIElements/libMolecuilderQtUI.la \
350 Actions/libMolecuilderActions.la \
351 Graph/libMolecuilderGraph.la \
352 libMolecuilder.la \
353 Parser/libMolecuilderParser.la \
354 Shapes/libMolecuilderShapes.la \
355 LinearAlgebra/libMolecuilderLinearAlgebra.la \
356 Exceptions/libMolecuilderExceptions.la \
357 RandomNumbers/libMolecuilderRandomNumbers.la \
358 ${CodePatterns_LIBS} \
359 $(BOOST_LIB) \
360 ${GUI_LIBS}
361
362joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
363joiner_LDADD = \
364 UIElements/libMolecuilderUI.la \
365 Actions/libMolecuilderActions.la \
366 Graph/libMolecuilderGraph.la \
367 libMolecuilder.la \
368 Parser/libMolecuilderParser.la \
369 Shapes/libMolecuilderShapes.la \
370 LinearAlgebra/libMolecuilderLinearAlgebra.la \
371 Exceptions/libMolecuilderExceptions.la \
372 RandomNumbers/libMolecuilderRandomNumbers.la \
373 ${CodePatterns_LIBS} \
374 $(BOOST_LIB)
375
376analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
377analyzer_LDADD = \
378 UIElements/libMolecuilderUI.la \
379 Actions/libMolecuilderActions.la \
380 Graph/libMolecuilderGraph.la \
381 libMolecuilder.la \
382 Parser/libMolecuilderParser.la \
383 Shapes/libMolecuilderShapes.la \
384 LinearAlgebra/libMolecuilderLinearAlgebra.la \
385 Exceptions/libMolecuilderExceptions.la \
386 RandomNumbers/libMolecuilderRandomNumbers.la \
387 ${CodePatterns_LIBS} \
388 $(BOOST_LIB)
389
390#EXTRA_DIST = ${molecuilder_DATA}
391
392FORCE:
393$(srcdir)/.git-version: FORCE
394 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
395 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
396 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
397 mv -f .git-version-t $(srcdir)/.git-version; \
398 else \
399 rm -f .git-version-t; \
400 fi
401
402EXTRA_DIST = $(srcdir)/.git-version
403
404$(srcdir)/version.c: $(srcdir)/.git-version
405 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
406
407
408unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
409 echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" > unity.cpp; \
410 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
411 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
412 done; \
413 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
414 olddir=$$PWD;\
415 cd $$directory && make unity.cpp;\
416 cd $$olddir;\
417 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
418 done;\
419 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
420 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
421
422MOSTLYCLEANFILES = unity.cpp
423
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