source: src/Makefile.am@ 6d858c

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 6d858c was 6d858c, checked in by Tillmann Crueger <crueger@…>, 14 years ago

Added Descriptor that allows specifying atoms within a given geometric shape

  • Property mode set to 100644
File size: 9.7 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4SUBDIRS = Actions UIElements
5
6# this includes source files that need to be present at multiple points
7HELPERSOURCE = \
8 Helpers/Assert.cpp \
9 Helpers/MemDebug.cpp
10
11ATOMSOURCE = \
12 atom.cpp \
13 atom_atominfo.cpp \
14 atom_bondedparticle.cpp \
15 atom_bondedparticleinfo.cpp \
16 atom_graphnode.cpp \
17 atom_graphnodeinfo.cpp \
18 atom_particleinfo.cpp \
19 atom_trajectoryparticle.cpp \
20 atom_trajectoryparticleinfo.cpp
21ATOMHEADER = \
22 atom.hpp \
23 atom_atominfo.hpp \
24 atom_bondedparticle.hpp \
25 atom_bondedparticleinfo.hpp \
26 atom_graphnode.hpp \
27 atom_graphnodeinfo.hpp \
28 atom_particleinfo.hpp \
29 atom_trajectoryparticle.hpp \
30 atom_trajectoryparticleinfo.hpp
31
32LINALGSOURCE = \
33 ${HELPERSOURCE} \
34 gslmatrix.cpp \
35 gslvector.cpp \
36 linearsystemofequations.cpp \
37 Space.cpp \
38 vector.cpp
39
40LINALGHEADER = \
41 gslmatrix.hpp \
42 gslvector.hpp \
43 linearsystemofequations.hpp \
44 Space.hpp \
45 vector.hpp
46
47ANALYSISSOURCE = \
48 analysis_bonds.cpp \
49 analysis_correlation.cpp
50ANALYSISHEADER = \
51 analysis_bonds.hpp \
52 analysis_correlation.hpp
53
54ACTIONSSOURCE = \
55 Actions/Action.cpp \
56 Actions/ActionHistory.cpp \
57 Actions/ActionRegistry.cpp \
58 Actions/ActionSequence.cpp \
59 Actions/ErrorAction.cpp \
60 Actions/MakroAction.cpp \
61 Actions/ManipulateAtomsProcess.cpp \
62 Actions/MethodAction.cpp \
63 Actions/Process.cpp
64
65ACTIONSHEADER = \
66 Actions/Action.hpp \
67 Actions/ActionHistory.hpp \
68 Actions/ActionRegistry.hpp \
69 Actions/ActionSequence.hpp \
70 Actions/Calculation.hpp \
71 Actions/Calculation_impl.hpp \
72 Actions/ErrorAction.hpp \
73 Actions/MakroAction.hpp \
74 Actions/ManipulateAtomsProcess.hpp \
75 Actions/MapOfActions.hpp \
76 Actions/MethodAction.hpp \
77 Actions/Process.hpp
78
79EXCEPTIONSOURCE = \
80 Exceptions/CustomException.cpp \
81 Exceptions/LinearDependenceException.cpp \
82 Exceptions/MathException.cpp \
83 Exceptions/NotInvertibleException.cpp \
84 Exceptions/NotOnSurfaceException.cpp \
85 Exceptions/ShapeException.cpp \
86 Exceptions/SkewException.cpp \
87 Exceptions/ZeroVectorException.cpp
88
89EXCEPTIONHEADER = \
90 Exceptions/CustomException.hpp \
91 Exceptions/LinearDependenceException.hpp \
92 Exceptions/MathException.hpp \
93 Exceptions/NotInvertibleException.hpp \
94 Exceptions/NotOnSurfaceException.hpp \
95 Exceptions/ShapeException.hpp \
96 Exceptions/SkewException.hpp \
97 Exceptions/ZeroVectorException.hpp
98
99PARSERSOURCE = \
100 Parser/ChangeTracker.cpp \
101 Parser/FormatParser.cpp \
102 Parser/FormatParserStorage.cpp \
103 Parser/MpqcParser.cpp \
104 Parser/PcpParser.cpp \
105 Parser/TremoloParser.cpp \
106 Parser/XyzParser.cpp
107
108PARSERHEADER = \
109 Parser/ChangeTracker.hpp \
110 Parser/FormatParser.hpp \
111 Parser/FormatParserStorage.hpp \
112 Parser/MpqcParser.hpp \
113 Parser/PcpParser.hpp \
114 Parser/TremoloParser.hpp \
115 Parser/XyzParser.hpp
116
117PATTERNSOURCE = \
118 Patterns/Observer.cpp
119PATTERNHEADER = \
120 Patterns/Cacheable.hpp \
121 Patterns/Observer.hpp \
122 Patterns/Singleton.hpp
123
124SHAPESOURCE = \
125 Shapes/BaseShapes.cpp \
126 Shapes/Shape.cpp \
127 Shapes/ShapeOps.cpp
128SHAPEHEADER = \
129 Shapes/BaseShapes.hpp \
130 Shapes/Shape.hpp \
131 Shapes/ShapeOps.hpp
132
133
134QTUIMOC_HEADER = UIElements/QT4/QTDialog.hpp \
135 UIElements/QT4/QTMainWindow.hpp \
136 UIElements/Menu/QT4/QTMenu.hpp \
137 UIElements/Views/QT4/QTWorldView.hpp \
138 UIElements/Views/QT4/GLMoleculeView.hpp \
139 UIElements/Views/QT4/QTMoleculeView.hpp \
140 UIElements/Views/QT4/QTStatusBar.hpp
141
142QTUIMOC_TARGETS = QTMainWindow.moc.cpp \
143 QTMenu.moc.cpp\
144 QTDialog.moc.cpp \
145 QTWorldView.moc.cpp \
146 GLMoleculeView.moc.cpp \
147 QTMoleculeView.moc.cpp \
148 QTStatusBar.moc.cpp
149
150DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
151 Descriptors/AtomIdDescriptor.cpp \
152 Descriptors/AtomSelectionDescriptor.cpp \
153 Descriptors/AtomShapeDescriptor.cpp \
154 Descriptors/AtomTypeDescriptor.cpp \
155 Descriptors/MoleculeDescriptor.cpp \
156 Descriptors/MoleculeIdDescriptor.cpp \
157 Descriptors/MoleculeNameDescriptor.cpp \
158 Descriptors/MoleculePtrDescriptor.cpp \
159 Descriptors/MoleculeSelectionDescriptor.cpp
160
161
162DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
163 Descriptors/AtomIdDescriptor.hpp \
164 Descriptors/AtomSelectionDescriptor.hpp \
165 Descriptors/AtomShapeDescriptor.hpp \
166 Descriptors/AtomTypeDescriptor.hpp \
167 Descriptors/MoleculeDescriptor.hpp \
168 Descriptors/MoleculeIdDescriptor.hpp \
169 Descriptors/MoleculeNameDescriptor.hpp \
170 Descriptors/MoleculePtrDescriptor.hpp \
171 Descriptors/MoleculeSelectionDescriptor.cpp
172
173QTUISOURCE = ${QTUIMOC_TARGETS} \
174 UIElements/QT4/QTMainWindow.cpp \
175 UIElements/QT4/QTDialog.cpp \
176 UIElements/QT4/QTUIFactory.cpp \
177 UIElements/Menu/QT4/QTMenu.cpp \
178 UIElements/Views/QT4/QTWorldView.cpp \
179 UIElements/Views/QT4/GLMoleculeView.cpp \
180 UIElements/Views/QT4/QTMoleculeView.cpp \
181 UIElements/Views/QT4/QTStatusBar.cpp
182
183QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
184
185QTUI_DEFS =
186
187SOURCE = \
188 ${ANALYSISSOURCE} \
189 ${ACTIONSSOURCE} \
190 ${ATOMSOURCE} \
191 ${EXCEPTIONSOURCE} \
192 ${PATTERNSOURCE} \
193 ${PARSERSOURCE} \
194 ${SHAPESOURCE} \
195 ${DESCRIPTORSOURCE} \
196 ${HELPERSOURCE} \
197 bond.cpp \
198 bondgraph.cpp \
199 boundary.cpp \
200 Box.cpp \
201 CommandLineParser.cpp \
202 config.cpp \
203 ConfigFileBuffer.cpp \
204 element.cpp \
205 elements_db.cpp \
206 ellipsoid.cpp \
207 errorlogger.cpp \
208 graph.cpp \
209 helpers.cpp \
210 info.cpp \
211 leastsquaremin.cpp \
212 Line.cpp \
213 linkedcell.cpp \
214 log.cpp \
215 logger.cpp \
216 Matrix.cpp \
217 moleculelist.cpp \
218 molecule.cpp \
219 molecule_dynamics.cpp \
220 molecule_fragmentation.cpp \
221 molecule_geometry.cpp \
222 molecule_graph.cpp \
223 molecule_pointcloud.cpp \
224 parser.cpp \
225 periodentafel.cpp \
226 Plane.cpp \
227 Space.cpp \
228 tesselation.cpp \
229 tesselationhelpers.cpp \
230 ThermoStatContainer.cpp \
231 triangleintersectionlist.cpp \
232 vector.cpp \
233 vector_ops.cpp \
234 verbose.cpp \
235 World.cpp
236
237HEADER = \
238 ${ANALYSISHEADER} \
239 ${ACTIONSHEADER} \
240 ${ATOMHEADER} \
241 ${EXCEPTIONHEADER} \
242 ${PARSERHEADER} \
243 ${PATTERNHEADER} \
244 ${SHAPEHEADER} \
245 ${DESCRIPTORHEADER} \
246 bond.hpp \
247 bondgraph.hpp \
248 boundary.hpp \
249 Box.hpp \
250 CommandLineParser.hpp \
251 config.hpp \
252 ConfigFileBuffer.hpp \
253 defs.hpp \
254 element.hpp \
255 elements_db.hpp \
256 ellipsoid.hpp \
257 errorlogger.hpp \
258 graph.hpp \
259 helpers.hpp \
260 info.hpp \
261 leastsquaremin.hpp \
262 Line.hpp \
263 linkedcell.hpp \
264 lists.hpp \
265 log.hpp \
266 logger.hpp \
267 Matrix.hpp \
268 molecule.hpp \
269 molecule_template.hpp \
270 parser.hpp \
271 periodentafel.hpp \
272 Plane.hpp \
273 stackclass.hpp \
274 tesselation.hpp \
275 tesselationhelpers.hpp \
276 ThermoStatContainer.hpp \
277 triangleintersectionlist.hpp \
278 verbose.hpp \
279 vector_ops.hpp \
280 World.hpp
281
282# the following files are no longer used:
283# memoryallocator.hpp \
284# memoryallocator.cpp \
285# memoryusageobserver.hpp \
286# memoryusageobserver.cpp
287
288BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
289GUI_LIBS = ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
290INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
291
292noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a libmenu.a libparser.a
293bin_PROGRAMS = molecuilder molecuildergui joiner analyzer
294
295molecuilderdir = ${bindir}
296
297libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
298
299libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
300libparser_a_SOURCES = ${PARSERSOURCE} ${PARSERHEADER}
301libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
302
303molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
304
305molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
306#molecuilder_CXXFLAGS += -DNO_CACHING
307molecuilder_LDFLAGS = $(BOOST_LIB)
308molecuilder_SOURCES = ${LEGACYSOURCE} builder.cpp
309molecuilder_SOURCES += $(srcdir)/version.c
310molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
311
312#Stuff for building the GUI using QT
313molecuildergui_SOURCES = ${QTUISOURCE} ${LEGACYSOURCE} builder.cpp
314molecuildergui_SOURCES += $(srcdir)/version.c
315molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS} -DUSE_GUI_QT
316molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS} ${GLU_LDFLAGS}
317molecuildergui_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB} ${GUI_LIBS}
318
319joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
320joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
321
322analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
323analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
324
325#Rules needed for QT4
326# UI-Files are scattered throughout several subdirectories
327# Therfore `%'-rules do not seem to work
328#Quick fix to get it done otherwise
329${QTUIMOC_TARGETS}: ${QTUIMOC_HEADER}
330 list='$(QTUIMOC_HEADER)'; for header in $$list; do \
331 echo "Making mocfile for $$header"; \
332 target=`basename $$header | sed "s/\(.*\)\..*/\1.moc.cpp/"`;\
333 $(MOC) $(srcdir)/$$header -o $$target \
334 || eval $$failcom; \
335 done;
336
337MOSTLYCLEANFILES = ${QTUIMOC_TARGETS}
338
339#EXTRA_DIST = ${molecuilder_DATA}
340
341FORCE:
342$(srcdir)/.git-version: FORCE
343 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
344 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
345 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
346 mv -f .git-version-t $(srcdir)/.git-version; \
347 else \
348 rm -f .git-version-t; \
349 fi
350
351EXTRA_DIST = $(srcdir)/.git-version
352
353$(srcdir)/version.c: $(srcdir)/.git-version
354 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
355
356
Note: See TracBrowser for help on using the repository browser.