source: src/Makefile.am@ 20943b

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 20943b was 20943b, checked in by Frederik Heber <heber@…>, 14 years ago

Rewrote LinearInterpolationBetweenSteps into a functor in Dynamics/

  • 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
128GRAPHSOURCE = \
129 Graph/BondGraph.cpp
130
131GRAPHHEADER = \
132 Graph/BondGraph.hpp
133
134THERMOSTATSOURCE = \
135 Thermostats/Berendsen.cpp \
136 Thermostats/GaussianThermostat.cpp \
137 Thermostats/Langevin.cpp \
138 Thermostats/NoseHoover.cpp \
139 Thermostats/NoThermostat.cpp \
140 Thermostats/Thermostat.cpp \
141 Thermostats/Woodcock.cpp
142
143THERMOSTATHEADER = \
144 Thermostats/Berendsen.hpp \
145 Thermostats/GaussianThermostat.hpp \
146 Thermostats/Langevin.hpp \
147 Thermostats/NoseHoover.hpp \
148 Thermostats/NoThermostat.hpp \
149 Thermostats/Thermostat.hpp \
150 Thermostats/Woodcock.hpp
151
152TESSELATIONSOURCE = \
153 BoundaryLineSet.cpp \
154 BoundaryPointSet.cpp \
155 BoundaryPolygonSet.cpp \
156 BoundaryTriangleSet.cpp \
157 CandidateForTesselation.cpp \
158 tesselation.cpp \
159 tesselationhelpers.cpp \
160 TesselPoint.cpp
161
162TESSELATIONHEADER = \
163 BoundaryLineSet.hpp \
164 BoundaryPointSet.hpp \
165 BoundaryPolygonSet.hpp \
166 BoundaryTriangleSet.hpp \
167 CandidateForTesselation.hpp \
168 IPointCloud.hpp \
169 PointCloudAdaptor.hpp \
170 tesselation.hpp \
171 tesselationhelpers.hpp \
172 TesselPoint.hpp
173
174MOLECUILDERSOURCE = \
175 ${ANALYSISSOURCE} \
176 ${ACTIONSSOURCE} \
177 ${ATOMSOURCE} \
178 ${DESCRIPTORSOURCE} \
179 ${DYNAMICSSOURCE} \
180 ${GRAPHSOURCE} \
181 ${RANDOMSOURCE} \
182 ${THERMOSTATSOURCE} \
183 ${TESSELATIONSOURCE} \
184 Helpers/defs.cpp \
185 Helpers/helpers.cpp \
186 bond.cpp \
187 boundary.cpp \
188 Box.cpp \
189 config.cpp \
190 ConfigFileBuffer.cpp \
191 element.cpp \
192 elements_db.cpp \
193 ellipsoid.cpp \
194 Formula.cpp \
195 graph.cpp \
196 linkedcell.cpp \
197 moleculelist.cpp \
198 molecule.cpp \
199 molecule_dynamics.cpp \
200 molecule_fragmentation.cpp \
201 molecule_geometry.cpp \
202 molecule_graph.cpp \
203 parser.cpp \
204 periodentafel.cpp \
205 ThermoStatContainer.cpp \
206 triangleintersectionlist.cpp \
207 UIElements/UIFactory.cpp \
208 World.cpp \
209 WorldTime.cpp
210
211MOLECUILDERHEADER = \
212 ${ANALYSISHEADER} \
213 ${ACTIONSHEADER} \
214 ${ATOMHEADER} \
215 ${DESCRIPTORHEADER} \
216 ${DESCRIPTORIMPLHEADER} \
217 ${DYNAMICSHEADER} \
218 ${GRAPHHEADER} \
219 ${RANDOMSOURCE} \
220 ${THERMOSTATHEADER} \
221 ${TESSELATIONHEADER} \
222 Helpers/defs.hpp \
223 Helpers/fast_functions.hpp \
224 Helpers/helpers.hpp \
225 bond.hpp \
226 boundary.hpp \
227 Box.hpp \
228 config.hpp \
229 ConfigFileBuffer.hpp \
230 element.hpp \
231 elements_db.hpp \
232 ellipsoid.hpp \
233 Formula.hpp \
234 graph.hpp \
235 linkedcell.hpp \
236 molecule.hpp \
237 parser.hpp \
238 periodentafel.hpp \
239 ThermoStatContainer.hpp \
240 triangleintersectionlist.hpp \
241 UIElements/UIFactory.hpp \
242 World.hpp \
243 WorldTime.hpp
244
245lib_LTLIBRARIES = libMolecuilder.la
246libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
247libMolecuilder_la_LIBADD = \
248 LinearAlgebra/libMolecuilderLinearAlgebra.la \
249 ${CodePatterns_LIBS} \
250 ${BOOST_PROGRAM_OPTIONS_LIB}
251
252nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
253
254## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
255## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
256## will therefore be treated as if it were literally part of the target name,
257## and the variable name derived from that.
258## The file extension .cc is recognized by Automake, and makes it produce
259## rules which invoke the C++ compiler to produce a libtool object file (.lo)
260## from each source file. Note that it is not necessary to list header files
261## which are already listed elsewhere in a _HEADERS variable assignment.
262libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE} $(srcdir)/version.c
263
264## Instruct libtool to include ABI version information in the generated shared
265## library file (.so). The library ABI version is defined in configure.ac, so
266## that all version information is kept in one place.
267libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
268
269## The generated configuration header is installed in its own subdirectory of
270## $(libdir). The reason for this is that the configuration information put
271## into this header file describes the target platform the installed library
272## has been built for. Thus the file must not be installed into a location
273## intended for architecture-independent files, as defined by the Filesystem
274## Hierarchy Standard (FHS).
275## The nodist_ prefix instructs Automake to not generate rules for including
276## the listed files in the distribution on 'make dist'. Files that are listed
277## in _HEADERS variables are normally included in the distribution, but the
278## configuration header file is generated at configure time and should not be
279## shipped with the source tarball.
280libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
281nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
282
283## Install the generated pkg-config file (.pc) into the expected location for
284## architecture-dependent package configuration information. Occasionally,
285## pkg-config files are also used for architecture-independent data packages,
286## in which case the correct install location would be $(datadir)/pkgconfig.
287pkgconfigdir = $(libdir)/pkgconfig
288pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
289
290
291BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) $(BOOST_PROGRAM_OPTIONS_LIB) $(BOOST_FILESYSTEM_LIB) $(BOOST_SYSTEM_LIB) $(BOOST_THREAD_LIB)
292INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
293
294noinst_LIBRARIES = libmenu.a
295bin_PROGRAMS = molecuilder molecuildergui joiner analyzer SubspaceFactorizer
296EXTRA_PROGRAMS = unity
297
298molecuilderdir = ${bindir}
299
300libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
301
302molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
303
304SubspaceFactorizer_CXXFLAGS = $(BOOST_CPPFLAGS)
305SubspaceFactorizer_SOURCES = SubspaceFactorizer.cpp Helpers/defs.cpp Helpers/defs.hpp Helpers/helpers.cpp Helpers/helpers.hpp
306SubspaceFactorizer_LDADD = \
307 LinearAlgebra/libMolecuilderLinearAlgebra.la \
308 Exceptions/libMolecuilderExceptions.la \
309 ${CodePatterns_LIBS} \
310 $(GSLLIB) \
311 $(BOOST_LIB)
312
313molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
314#molecuilder_CXXFLAGS += -DNO_CACHING
315molecuilder_LDFLAGS = $(BOOST_LIB)
316molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
317molecuilder_LDADD = \
318 UIElements/libMolecuilderUI.la \
319 Actions/libMolecuilderActions.la \
320 libMolecuilder.la \
321 Parser/libMolecuilderParser.la \
322 Shapes/libMolecuilderShapes.la \
323 LinearAlgebra/libMolecuilderLinearAlgebra.la \
324 Exceptions/libMolecuilderExceptions.la \
325 RandomNumbers/libMolecuilderRandomNumbers.la \
326 ${CodePatterns_LIBS} \
327 $(BOOST_LIB)
328
329#Stuff for building the GUI using Qt
330molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
331molecuildergui_CXXFLAGS = $(BOOST_CPPFLAGS) -DUSE_GUI_QT
332molecuildergui_LDFLAGS = $(BOOST_LIB)
333
334unity_SOURCES = unity.cpp
335unity_LDADD = $(BOOST_LIB)
336
337molecuildergui_LDADD = \
338 UIElements/libMolecuilderUI.la \
339 UIElements/libMolecuilderQtUI.la \
340 Actions/libMolecuilderActions.la \
341 libMolecuilder.la \
342 Parser/libMolecuilderParser.la \
343 Shapes/libMolecuilderShapes.la \
344 LinearAlgebra/libMolecuilderLinearAlgebra.la \
345 Exceptions/libMolecuilderExceptions.la \
346 RandomNumbers/libMolecuilderRandomNumbers.la \
347 ${CodePatterns_LIBS} \
348 $(BOOST_LIB) \
349 ${GUI_LIBS}
350
351joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
352joiner_LDADD = \
353 UIElements/libMolecuilderUI.la \
354 Actions/libMolecuilderActions.la \
355 libMolecuilder.la \
356 Parser/libMolecuilderParser.la \
357 Shapes/libMolecuilderShapes.la \
358 LinearAlgebra/libMolecuilderLinearAlgebra.la \
359 Exceptions/libMolecuilderExceptions.la \
360 RandomNumbers/libMolecuilderRandomNumbers.la \
361 ${CodePatterns_LIBS} \
362 $(BOOST_LIB)
363
364analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
365analyzer_LDADD = \
366 UIElements/libMolecuilderUI.la \
367 Actions/libMolecuilderActions.la \
368 libMolecuilder.la \
369 Parser/libMolecuilderParser.la \
370 Shapes/libMolecuilderShapes.la \
371 LinearAlgebra/libMolecuilderLinearAlgebra.la \
372 Exceptions/libMolecuilderExceptions.la \
373 RandomNumbers/libMolecuilderRandomNumbers.la \
374 ${CodePatterns_LIBS} \
375 $(BOOST_LIB)
376
377#EXTRA_DIST = ${molecuilder_DATA}
378
379FORCE:
380$(srcdir)/.git-version: FORCE
381 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
382 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
383 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
384 mv -f .git-version-t $(srcdir)/.git-version; \
385 else \
386 rm -f .git-version-t; \
387 fi
388
389EXTRA_DIST = $(srcdir)/.git-version
390
391$(srcdir)/version.c: $(srcdir)/.git-version
392 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
393
394
395unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
396 echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" > unity.cpp; \
397 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
398 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
399 done; \
400 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
401 olddir=$$PWD;\
402 cd $$directory && make unity.cpp;\
403 cd $$olddir;\
404 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
405 done;\
406 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
407 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
408
409MOSTLYCLEANFILES = unity.cpp
410
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