source: src/Makefile.am@ 435065

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 435065 was 435065, checked in by Frederik Heber <heber@…>, 14 years ago

Rewrote VerletForceIntegration into a functor in Dynamics/.

  • we now have the regression test working with checking against an integrated file which has not been checked though (just by eye and logged output to make sense, not against other code).
  • Property mode set to 100644
File size: 12.6 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 Actions \
11 UIElements
12
13AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
14
15ATOMSOURCE = \
16 atom.cpp \
17 AtomicInfo.cpp \
18 atom_atominfo.cpp \
19 atom_bondedparticle.cpp \
20 atom_bondedparticleinfo.cpp \
21 atom_graphnode.cpp \
22 atom_graphnodeinfo.cpp \
23 atom_particleinfo.cpp
24ATOMHEADER = \
25 atom.hpp \
26 AtomicInfo.hpp \
27 atom_atominfo.hpp \
28 atom_bondedparticle.hpp \
29 atom_bondedparticleinfo.hpp \
30 atom_graphnode.hpp \
31 atom_graphnodeinfo.hpp \
32 atom_particleinfo.hpp
33
34ANALYSISSOURCE = \
35 analysis_bonds.cpp \
36 analysis_correlation.cpp
37ANALYSISHEADER = \
38 analysis_bonds.hpp \
39 analysis_correlation.hpp
40
41ACTIONSSOURCE = \
42 Actions/Action.cpp \
43 Actions/ActionHistory.cpp \
44 Actions/ActionRegistry.cpp \
45 Actions/ActionSequence.cpp \
46 Actions/ActionTraits.cpp \
47 Actions/ErrorAction.cpp \
48 Actions/MakroAction.cpp \
49 Actions/ManipulateAtomsProcess.cpp \
50 Actions/MethodAction.cpp \
51 Actions/OptionRegistry.cpp \
52 Actions/OptionTrait.cpp \
53 Actions/Process.cpp
54
55ACTIONSHEADER = \
56 Actions/Action.hpp \
57 Actions/ActionHistory.hpp \
58 Actions/ActionRegistry.hpp \
59 Actions/ActionSequence.hpp \
60 Actions/ActionTraits.hpp \
61 Actions/Calculation.hpp \
62 Actions/Calculation_impl.hpp \
63 Actions/ErrorAction.hpp \
64 Actions/MakroAction.hpp \
65 Actions/ManipulateAtomsProcess.hpp \
66 Actions/MethodAction.hpp \
67 Actions/OptionRegistry.hpp \
68 Actions/OptionTrait.hpp \
69 Actions/Process.hpp
70
71
72DESCRIPTORSOURCE = \
73 Descriptors/AtomDescriptor.cpp \
74 Descriptors/AtomIdDescriptor.cpp \
75 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
76 Descriptors/AtomSelectionDescriptor.cpp \
77 Descriptors/AtomShapeDescriptor.cpp \
78 Descriptors/AtomTypeDescriptor.cpp \
79 Descriptors/MoleculeDescriptor.cpp \
80 Descriptors/MoleculeFormulaDescriptor.cpp \
81 Descriptors/MoleculeIdDescriptor.cpp \
82 Descriptors/MoleculeNameDescriptor.cpp \
83 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
84 Descriptors/MoleculeOrderDescriptor.cpp \
85 Descriptors/MoleculePtrDescriptor.cpp \
86 Descriptors/MoleculeSelectionDescriptor.cpp
87
88
89DESCRIPTORHEADER = \
90 Descriptors/AtomDescriptor.hpp \
91 Descriptors/AtomIdDescriptor.hpp \
92 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
93 Descriptors/AtomSelectionDescriptor.hpp \
94 Descriptors/AtomShapeDescriptor.hpp \
95 Descriptors/AtomTypeDescriptor.hpp \
96 Descriptors/MoleculeDescriptor.hpp \
97 Descriptors/MoleculeFormulaDescriptor.hpp \
98 Descriptors/MoleculeIdDescriptor.hpp \
99 Descriptors/MoleculeNameDescriptor.hpp \
100 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
101 Descriptors/MoleculeOrderDescriptor.hpp \
102 Descriptors/MoleculePtrDescriptor.hpp \
103 Descriptors/MoleculeSelectionDescriptor.hpp
104
105DESCRIPTORIMPLHEADER = \
106 Descriptors/AtomDescriptor_impl.hpp \
107 Descriptors/AtomIdDescriptor_impl.hpp \
108 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
109 Descriptors/AtomSelectionDescriptor_impl.hpp \
110 Descriptors/AtomShapeDescriptor_impl.hpp \
111 Descriptors/AtomTypeDescriptor_impl.hpp \
112 Descriptors/MoleculeDescriptor_impl.hpp \
113 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
114 Descriptors/MoleculeIdDescriptor_impl.hpp \
115 Descriptors/MoleculeNameDescriptor_impl.hpp \
116 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
117 Descriptors/MoleculeOrderDescriptor_impl.hpp \
118 Descriptors/MoleculePtrDescriptor_impl.hpp \
119 Descriptors/MoleculeSelectionDescriptor_impl.hpp
120
121DYNAMICSSOURCE = \
122 Dynamics/MinimiseConstrainedPotential.cpp
123
124DYNAMICSHEADER = \
125 Dynamics/LinearInterpolationBetweenSteps.hpp \
126 Dynamics/MinimiseConstrainedPotential.hpp \
127 Dynamics/OutputTemperature.hpp \
128 Dynamics/VerletForceIntegration.hpp
129
130GRAPHSOURCE = \
131 Graph/BondGraph.cpp
132
133GRAPHHEADER = \
134 Graph/BondGraph.hpp
135
136THERMOSTATSOURCE = \
137 Thermostats/Berendsen.cpp \
138 Thermostats/GaussianThermostat.cpp \
139 Thermostats/Langevin.cpp \
140 Thermostats/NoseHoover.cpp \
141 Thermostats/NoThermostat.cpp \
142 Thermostats/Thermostat.cpp \
143 Thermostats/Woodcock.cpp
144
145THERMOSTATHEADER = \
146 Thermostats/Berendsen.hpp \
147 Thermostats/GaussianThermostat.hpp \
148 Thermostats/Langevin.hpp \
149 Thermostats/NoseHoover.hpp \
150 Thermostats/NoThermostat.hpp \
151 Thermostats/Thermostat.hpp \
152 Thermostats/Woodcock.hpp
153
154TESSELATIONSOURCE = \
155 BoundaryLineSet.cpp \
156 BoundaryPointSet.cpp \
157 BoundaryPolygonSet.cpp \
158 BoundaryTriangleSet.cpp \
159 CandidateForTesselation.cpp \
160 tesselation.cpp \
161 tesselationhelpers.cpp \
162 TesselPoint.cpp
163
164TESSELATIONHEADER = \
165 BoundaryLineSet.hpp \
166 BoundaryPointSet.hpp \
167 BoundaryPolygonSet.hpp \
168 BoundaryTriangleSet.hpp \
169 CandidateForTesselation.hpp \
170 IPointCloud.hpp \
171 PointCloudAdaptor.hpp \
172 tesselation.hpp \
173 tesselationhelpers.hpp \
174 TesselPoint.hpp
175
176MOLECUILDERSOURCE = \
177 ${ANALYSISSOURCE} \
178 ${ACTIONSSOURCE} \
179 ${ATOMSOURCE} \
180 ${DESCRIPTORSOURCE} \
181 ${DYNAMICSSOURCE} \
182 ${GRAPHSOURCE} \
183 ${RANDOMSOURCE} \
184 ${THERMOSTATSOURCE} \
185 ${TESSELATIONSOURCE} \
186 Helpers/defs.cpp \
187 Helpers/helpers.cpp \
188 bond.cpp \
189 boundary.cpp \
190 Box.cpp \
191 config.cpp \
192 ConfigFileBuffer.cpp \
193 element.cpp \
194 elements_db.cpp \
195 ellipsoid.cpp \
196 Formula.cpp \
197 graph.cpp \
198 linkedcell.cpp \
199 moleculelist.cpp \
200 molecule.cpp \
201 molecule_dynamics.cpp \
202 molecule_fragmentation.cpp \
203 molecule_geometry.cpp \
204 molecule_graph.cpp \
205 parser.cpp \
206 periodentafel.cpp \
207 ThermoStatContainer.cpp \
208 triangleintersectionlist.cpp \
209 UIElements/UIFactory.cpp \
210 World.cpp \
211 WorldTime.cpp
212
213MOLECUILDERHEADER = \
214 ${ANALYSISHEADER} \
215 ${ACTIONSHEADER} \
216 ${ATOMHEADER} \
217 ${DESCRIPTORHEADER} \
218 ${DESCRIPTORIMPLHEADER} \
219 ${DYNAMICSHEADER} \
220 ${GRAPHHEADER} \
221 ${RANDOMSOURCE} \
222 ${THERMOSTATHEADER} \
223 ${TESSELATIONHEADER} \
224 Helpers/defs.hpp \
225 Helpers/fast_functions.hpp \
226 Helpers/helpers.hpp \
227 bond.hpp \
228 boundary.hpp \
229 Box.hpp \
230 config.hpp \
231 ConfigFileBuffer.hpp \
232 element.hpp \
233 elements_db.hpp \
234 ellipsoid.hpp \
235 Formula.hpp \
236 graph.hpp \
237 linkedcell.hpp \
238 molecule.hpp \
239 parser.hpp \
240 periodentafel.hpp \
241 ThermoStatContainer.hpp \
242 triangleintersectionlist.hpp \
243 UIElements/UIFactory.hpp \
244 World.hpp \
245 WorldTime.hpp
246
247lib_LTLIBRARIES = libMolecuilder.la
248libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
249libMolecuilder_la_LIBADD = \
250 LinearAlgebra/libMolecuilderLinearAlgebra.la \
251 ${CodePatterns_LIBS} \
252 ${BOOST_PROGRAM_OPTIONS_LIB}
253
254nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
255
256## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
257## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
258## will therefore be treated as if it were literally part of the target name,
259## and the variable name derived from that.
260## The file extension .cc is recognized by Automake, and makes it produce
261## rules which invoke the C++ compiler to produce a libtool object file (.lo)
262## from each source file. Note that it is not necessary to list header files
263## which are already listed elsewhere in a _HEADERS variable assignment.
264libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE} $(srcdir)/version.c
265
266## Instruct libtool to include ABI version information in the generated shared
267## library file (.so). The library ABI version is defined in configure.ac, so
268## that all version information is kept in one place.
269libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
270
271## The generated configuration header is installed in its own subdirectory of
272## $(libdir). The reason for this is that the configuration information put
273## into this header file describes the target platform the installed library
274## has been built for. Thus the file must not be installed into a location
275## intended for architecture-independent files, as defined by the Filesystem
276## Hierarchy Standard (FHS).
277## The nodist_ prefix instructs Automake to not generate rules for including
278## the listed files in the distribution on 'make dist'. Files that are listed
279## in _HEADERS variables are normally included in the distribution, but the
280## configuration header file is generated at configure time and should not be
281## shipped with the source tarball.
282libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
283nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
284
285## Install the generated pkg-config file (.pc) into the expected location for
286## architecture-dependent package configuration information. Occasionally,
287## pkg-config files are also used for architecture-independent data packages,
288## in which case the correct install location would be $(datadir)/pkgconfig.
289pkgconfigdir = $(libdir)/pkgconfig
290pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
291
292
293BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) $(BOOST_PROGRAM_OPTIONS_LIB) $(BOOST_FILESYSTEM_LIB) $(BOOST_SYSTEM_LIB) $(BOOST_THREAD_LIB)
294INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
295
296noinst_LIBRARIES = libmenu.a
297bin_PROGRAMS = molecuilder molecuildergui joiner analyzer SubspaceFactorizer
298EXTRA_PROGRAMS = unity
299
300molecuilderdir = ${bindir}
301
302libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
303
304molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
305
306SubspaceFactorizer_CXXFLAGS = $(BOOST_CPPFLAGS)
307SubspaceFactorizer_SOURCES = SubspaceFactorizer.cpp Helpers/defs.cpp Helpers/defs.hpp Helpers/helpers.cpp Helpers/helpers.hpp
308SubspaceFactorizer_LDADD = \
309 LinearAlgebra/libMolecuilderLinearAlgebra.la \
310 Exceptions/libMolecuilderExceptions.la \
311 ${CodePatterns_LIBS} \
312 $(GSLLIB) \
313 $(BOOST_LIB)
314
315molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
316#molecuilder_CXXFLAGS += -DNO_CACHING
317molecuilder_LDFLAGS = $(BOOST_LIB)
318molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
319molecuilder_LDADD = \
320 UIElements/libMolecuilderUI.la \
321 Actions/libMolecuilderActions.la \
322 libMolecuilder.la \
323 Parser/libMolecuilderParser.la \
324 Shapes/libMolecuilderShapes.la \
325 LinearAlgebra/libMolecuilderLinearAlgebra.la \
326 Exceptions/libMolecuilderExceptions.la \
327 RandomNumbers/libMolecuilderRandomNumbers.la \
328 ${CodePatterns_LIBS} \
329 $(BOOST_LIB)
330
331#Stuff for building the GUI using Qt
332molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
333molecuildergui_CXXFLAGS = $(BOOST_CPPFLAGS) -DUSE_GUI_QT
334molecuildergui_LDFLAGS = $(BOOST_LIB)
335
336unity_SOURCES = unity.cpp
337unity_LDADD = $(BOOST_LIB)
338
339molecuildergui_LDADD = \
340 UIElements/libMolecuilderUI.la \
341 UIElements/libMolecuilderQtUI.la \
342 Actions/libMolecuilderActions.la \
343 libMolecuilder.la \
344 Parser/libMolecuilderParser.la \
345 Shapes/libMolecuilderShapes.la \
346 LinearAlgebra/libMolecuilderLinearAlgebra.la \
347 Exceptions/libMolecuilderExceptions.la \
348 RandomNumbers/libMolecuilderRandomNumbers.la \
349 ${CodePatterns_LIBS} \
350 $(BOOST_LIB) \
351 ${GUI_LIBS}
352
353joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
354joiner_LDADD = \
355 UIElements/libMolecuilderUI.la \
356 Actions/libMolecuilderActions.la \
357 libMolecuilder.la \
358 Parser/libMolecuilderParser.la \
359 Shapes/libMolecuilderShapes.la \
360 LinearAlgebra/libMolecuilderLinearAlgebra.la \
361 Exceptions/libMolecuilderExceptions.la \
362 RandomNumbers/libMolecuilderRandomNumbers.la \
363 ${CodePatterns_LIBS} \
364 $(BOOST_LIB)
365
366analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
367analyzer_LDADD = \
368 UIElements/libMolecuilderUI.la \
369 Actions/libMolecuilderActions.la \
370 libMolecuilder.la \
371 Parser/libMolecuilderParser.la \
372 Shapes/libMolecuilderShapes.la \
373 LinearAlgebra/libMolecuilderLinearAlgebra.la \
374 Exceptions/libMolecuilderExceptions.la \
375 RandomNumbers/libMolecuilderRandomNumbers.la \
376 ${CodePatterns_LIBS} \
377 $(BOOST_LIB)
378
379#EXTRA_DIST = ${molecuilder_DATA}
380
381FORCE:
382$(srcdir)/.git-version: FORCE
383 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
384 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
385 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
386 mv -f .git-version-t $(srcdir)/.git-version; \
387 else \
388 rm -f .git-version-t; \
389 fi
390
391EXTRA_DIST = $(srcdir)/.git-version
392
393$(srcdir)/version.c: $(srcdir)/.git-version
394 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
395
396
397unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
398 echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" > unity.cpp; \
399 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
400 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
401 done; \
402 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
403 olddir=$$PWD;\
404 cd $$directory && make unity.cpp;\
405 cd $$olddir;\
406 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
407 done;\
408 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
409 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
410
411MOSTLYCLEANFILES = unity.cpp
412
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