source: src/Makefile.am@ ba7418

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 ba7418 was cf0ca1, checked in by Tillmann Crueger <crueger@…>, 14 years ago

Added Descriptors that allow description of all Selected molecules
  • Property mode set to 100644
File size: 9.5 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 = Exceptions/CustomException.cpp \
80 Exceptions/LinearDependenceException.cpp \
81 Exceptions/MathException.cpp \
82 Exceptions/NotInvertibleException.cpp \
83 Exceptions/SkewException.cpp \
84 Exceptions/ZeroVectorException.cpp
85
86EXCEPTIONHEADER = Exceptions/CustomException.hpp \
87 Exceptions/LinearDependenceException.hpp \
88 Exceptions/MathException.hpp \
89 Exceptions/NotInvertibleException.hpp \
90 Exceptions/SkewException.hpp \
91 Exceptions/ZeroVectorException.hpp
92
93PARSERSOURCE = \
94 Parser/ChangeTracker.cpp \
95 Parser/FormatParser.cpp \
96 Parser/FormatParserStorage.cpp \
97 Parser/MpqcParser.cpp \
98 Parser/PcpParser.cpp \
99 Parser/TremoloParser.cpp \
100 Parser/XyzParser.cpp
101
102PARSERHEADER = \
103 Parser/ChangeTracker.hpp \
104 Parser/FormatParser.hpp \
105 Parser/FormatParserStorage.hpp \
106 Parser/MpqcParser.hpp \
107 Parser/PcpParser.hpp \
108 Parser/TremoloParser.hpp \
109 Parser/XyzParser.hpp
110
111PATTERNSOURCE = \
112 Patterns/Observer.cpp
113PATTERNHEADER = \
114 Patterns/Cacheable.hpp \
115 Patterns/Observer.hpp \
116 Patterns/Singleton.hpp
117
118SHAPESOURCE = \
119 Shapes/BaseShapes.cpp \
120 Shapes/Shape.cpp \
121 Shapes/ShapeOps.cpp
122SHAPEHEADER = \
123 Shapes/BaseShapes.hpp \
124 Shapes/Shape.hpp \
125 Shapes/ShapeOps.hpp
126
127
128QTUIMOC_HEADER = UIElements/QT4/QTDialog.hpp \
129 UIElements/QT4/QTMainWindow.hpp \
130 UIElements/Menu/QT4/QTMenu.hpp \
131 UIElements/Views/QT4/QTWorldView.hpp \
132 UIElements/Views/QT4/GLMoleculeView.hpp \
133 UIElements/Views/QT4/QTMoleculeView.hpp \
134 UIElements/Views/QT4/QTStatusBar.hpp
135
136QTUIMOC_TARGETS = QTMainWindow.moc.cpp \
137 QTMenu.moc.cpp\
138 QTDialog.moc.cpp \
139 QTWorldView.moc.cpp \
140 GLMoleculeView.moc.cpp \
141 QTMoleculeView.moc.cpp \
142 QTStatusBar.moc.cpp
143
144DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
145 Descriptors/AtomIdDescriptor.cpp \
146 Descriptors/AtomSelectionDescriptor.cpp \
147 Descriptors/AtomTypeDescriptor.cpp \
148 Descriptors/MoleculeDescriptor.cpp \
149 Descriptors/MoleculeIdDescriptor.cpp \
150 Descriptors/MoleculeNameDescriptor.cpp \
151 Descriptors/MoleculePtrDescriptor.cpp \
152 Descriptors/MoleculeSelectionDescriptor.cpp
153
154
155DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
156 Descriptors/AtomIdDescriptor.hpp \
157 Descriptors/AtomSelectionDescriptor.hpp \
158 Descriptors/AtomTypeDescriptor.hpp \
159 Descriptors/MoleculeDescriptor.hpp \
160 Descriptors/MoleculeIdDescriptor.hpp \
161 Descriptors/MoleculeNameDescriptor.hpp \
162 Descriptors/MoleculePtrDescriptor.hpp \
163 Descriptors/MoleculeSelectionDescriptor.cpp
164
165QTUISOURCE = ${QTUIMOC_TARGETS} \
166 UIElements/QT4/QTMainWindow.cpp \
167 UIElements/QT4/QTDialog.cpp \
168 UIElements/QT4/QTUIFactory.cpp \
169 UIElements/Menu/QT4/QTMenu.cpp \
170 UIElements/Views/QT4/QTWorldView.cpp \
171 UIElements/Views/QT4/GLMoleculeView.cpp \
172 UIElements/Views/QT4/QTMoleculeView.cpp \
173 UIElements/Views/QT4/QTStatusBar.cpp
174
175QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
176
177QTUI_DEFS =
178
179SOURCE = \
180 ${ANALYSISSOURCE} \
181 ${ACTIONSSOURCE} \
182 ${ATOMSOURCE} \
183 ${EXCEPTIONSOURCE} \
184 ${PATTERNSOURCE} \
185 ${PARSERSOURCE} \
186 ${SHAPESOURCE} \
187 ${DESCRIPTORSOURCE} \
188 ${HELPERSOURCE} \
189 bond.cpp \
190 bondgraph.cpp \
191 boundary.cpp \
192 Box.cpp \
193 CommandLineParser.cpp \
194 config.cpp \
195 ConfigFileBuffer.cpp \
196 element.cpp \
197 elements_db.cpp \
198 ellipsoid.cpp \
199 errorlogger.cpp \
200 graph.cpp \
201 helpers.cpp \
202 info.cpp \
203 leastsquaremin.cpp \
204 Line.cpp \
205 linkedcell.cpp \
206 log.cpp \
207 logger.cpp \
208 Matrix.cpp \
209 moleculelist.cpp \
210 molecule.cpp \
211 molecule_dynamics.cpp \
212 molecule_fragmentation.cpp \
213 molecule_geometry.cpp \
214 molecule_graph.cpp \
215 molecule_pointcloud.cpp \
216 parser.cpp \
217 periodentafel.cpp \
218 Plane.cpp \
219 Space.cpp \
220 tesselation.cpp \
221 tesselationhelpers.cpp \
222 ThermoStatContainer.cpp \
223 triangleintersectionlist.cpp \
224 vector.cpp \
225 vector_ops.cpp \
226 verbose.cpp \
227 World.cpp
228
229HEADER = \
230 ${ANALYSISHEADER} \
231 ${ACTIONSHEADER} \
232 ${ATOMHEADER} \
233 ${EXCEPTIONHEADER} \
234 ${PARSERHEADER} \
235 ${PATTERNHEADER} \
236 ${SHAPEHEADER} \
237 ${DESCRIPTORHEADER} \
238 bond.hpp \
239 bondgraph.hpp \
240 boundary.hpp \
241 Box.hpp \
242 CommandLineParser.hpp \
243 config.hpp \
244 ConfigFileBuffer.hpp \
245 defs.hpp \
246 element.hpp \
247 elements_db.hpp \
248 ellipsoid.hpp \
249 errorlogger.hpp \
250 graph.hpp \
251 helpers.hpp \
252 info.hpp \
253 leastsquaremin.hpp \
254 Line.hpp \
255 linkedcell.hpp \
256 lists.hpp \
257 log.hpp \
258 logger.hpp \
259 Matrix.hpp \
260 molecule.hpp \
261 molecule_template.hpp \
262 parser.hpp \
263 periodentafel.hpp \
264 Plane.hpp \
265 stackclass.hpp \
266 tesselation.hpp \
267 tesselationhelpers.hpp \
268 ThermoStatContainer.hpp \
269 triangleintersectionlist.hpp \
270 verbose.hpp \
271 vector_ops.hpp \
272 World.hpp
273
274# the following files are no longer used:
275# memoryallocator.hpp \
276# memoryallocator.cpp \
277# memoryusageobserver.hpp \
278# memoryusageobserver.cpp
279
280BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
281GUI_LIBS = ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
282INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
283
284noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a libmenu.a libparser.a
285bin_PROGRAMS = molecuilder molecuildergui joiner analyzer
286
287molecuilderdir = ${bindir}
288
289libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
290
291libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
292libparser_a_SOURCES = ${PARSERSOURCE} ${PARSERHEADER}
293libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
294
295molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
296
297molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
298#molecuilder_CXXFLAGS += -DNO_CACHING
299molecuilder_LDFLAGS = $(BOOST_LIB)
300molecuilder_SOURCES = ${LEGACYSOURCE} builder.cpp
301molecuilder_SOURCES += $(srcdir)/version.c
302molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
303
304#Stuff for building the GUI using QT
305molecuildergui_SOURCES = ${QTUISOURCE} ${LEGACYSOURCE} builder.cpp
306molecuildergui_SOURCES += $(srcdir)/version.c
307molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS} -DUSE_GUI_QT
308molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS} ${GLU_LDFLAGS}
309molecuildergui_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB} ${GUI_LIBS}
310
311joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
312joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
313
314analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
315analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
316
317#Rules needed for QT4
318# UI-Files are scattered throughout several subdirectories
319# Therfore `%'-rules do not seem to work
320#Quick fix to get it done otherwise
321${QTUIMOC_TARGETS}: ${QTUIMOC_HEADER}
322 list='$(QTUIMOC_HEADER)'; for header in $$list; do \
323 echo "Making mocfile for $$header"; \
324 target=`basename $$header | sed "s/\(.*\)\..*/\1.moc.cpp/"`;\
325 $(MOC) $(srcdir)/$$header -o $$target \
326 || eval $$failcom; \
327 done;
328
329MOSTLYCLEANFILES = ${QTUIMOC_TARGETS}
330
331#EXTRA_DIST = ${molecuilder_DATA}
332
333FORCE:
334$(srcdir)/.git-version: FORCE
335 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
336 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
337 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
338 mv -f .git-version-t $(srcdir)/.git-version; \
339 else \
340 rm -f .git-version-t; \
341 fi
342
343EXTRA_DIST = $(srcdir)/.git-version
344
345$(srcdir)/version.c: $(srcdir)/.git-version
346 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
347
348
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