source: src/Makefile.am@ 8f4df1

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 8f4df1 was 8f4df1, checked in by Frederik Heber <heber@…>, 14 years ago

Merge branch 'AtomicPositionEncapsulation' into stable

Conflicts:

src/Actions/AtomAction/ChangeElementAction.cpp
src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp
src/Makefile.am
src/UIElements/TextUI/TextDialog.cpp
src/analysis_correlation.hpp
src/atom.cpp
src/atom_atominfo.hpp
src/bond.cpp
src/boundary.cpp
src/molecule_geometry.cpp
src/tesselation.cpp
src/tesselationhelpers.cpp
src/triangleintersectionlist.cpp
src/unittests/Makefile.am

  • fixed #includes due to moves to Helpers and LinearAlgebra
  • moved VectorInterface.* and vector_ops.* to LinearAlgebra
  • no more direct access of atom::node, remapped to set/getPosition()
  • no more direct access to atom::type, remapped to set/getType() (also in atom due to derivation and atominfo::AtomicElement is private not protected).
  • Property mode set to 100644
File size: 12.7 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4SUBDIRS = Actions Exceptions Helpers LinearAlgebra Parser UIElements
5
6ATOMSOURCE = \
7 atom.cpp \
8 atom_atominfo.cpp \
9 atom_bondedparticle.cpp \
10 atom_bondedparticleinfo.cpp \
11 atom_graphnode.cpp \
12 atom_graphnodeinfo.cpp \
13 atom_particleinfo.cpp \
14 atom_trajectoryparticle.cpp \
15 atom_trajectoryparticleinfo.cpp
16ATOMHEADER = \
17 atom.hpp \
18 atom_atominfo.hpp \
19 atom_bondedparticle.hpp \
20 atom_bondedparticleinfo.hpp \
21 atom_graphnode.hpp \
22 atom_graphnodeinfo.hpp \
23 atom_particleinfo.hpp \
24 atom_trajectoryparticle.hpp \
25 atom_trajectoryparticleinfo.hpp
26
27ANALYSISSOURCE = \
28 analysis_bonds.cpp \
29 analysis_correlation.cpp
30ANALYSISHEADER = \
31 analysis_bonds.hpp \
32 analysis_correlation.hpp
33
34ACTIONSSOURCE = \
35 Actions/Action.cpp \
36 Actions/ActionHistory.cpp \
37 Actions/ActionRegistry.cpp \
38 Actions/ActionSequence.cpp \
39 Actions/ErrorAction.cpp \
40 Actions/MakroAction.cpp \
41 Actions/ManipulateAtomsProcess.cpp \
42 Actions/MethodAction.cpp \
43 Actions/Process.cpp
44
45ACTIONSHEADER = \
46 Actions/Action.hpp \
47 Actions/ActionHistory.hpp \
48 Actions/ActionRegistry.hpp \
49 Actions/ActionSequence.hpp \
50 Actions/Calculation.hpp \
51 Actions/Calculation_impl.hpp \
52 Actions/ErrorAction.hpp \
53 Actions/MakroAction.hpp \
54 Actions/ManipulateAtomsProcess.hpp \
55 Actions/MapOfActions.hpp \
56 Actions/MethodAction.hpp \
57 Actions/Process.hpp
58
59PATTERNSOURCE = \
60 Patterns/Observer.cpp
61PATTERNHEADER = \
62 Patterns/Cacheable.hpp \
63 Patterns/Observer.hpp \
64 Patterns/Singleton.hpp
65
66SHAPESOURCE = \
67 Shapes/BaseShapes.cpp \
68 Shapes/Shape.cpp \
69 Shapes/ShapeOps.cpp
70SHAPEHEADER = \
71 Shapes/BaseShapes.hpp \
72 Shapes/Shape.hpp \
73 Shapes/ShapeOps.hpp
74
75
76DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
77 Descriptors/AtomIdDescriptor.cpp \
78 Descriptors/AtomSelectionDescriptor.cpp \
79 Descriptors/AtomTypeDescriptor.cpp \
80 Descriptors/MoleculeDescriptor.cpp \
81 Descriptors/MoleculeFormulaDescriptor.cpp \
82 Descriptors/MoleculeIdDescriptor.cpp \
83 Descriptors/MoleculeNameDescriptor.cpp \
84 Descriptors/MoleculePtrDescriptor.cpp \
85 Descriptors/MoleculeSelectionDescriptor.cpp
86
87
88DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
89 Descriptors/AtomIdDescriptor.hpp \
90 Descriptors/AtomSelectionDescriptor.hpp \
91 Descriptors/AtomTypeDescriptor.hpp \
92 Descriptors/MoleculeDescriptor.hpp \
93 Descriptors/MoleculeFormulaDescriptor.hpp \
94 Descriptors/MoleculeIdDescriptor.hpp \
95 Descriptors/MoleculeNameDescriptor.hpp \
96 Descriptors/MoleculePtrDescriptor.hpp \
97 Descriptors/MoleculeSelectionDescriptor.cpp
98
99
100QTUIMOC_HEADER = UIElements/QT4/QTDialog.hpp \
101 UIElements/QT4/QTMainWindow.hpp \
102 UIElements/Menu/QT4/QTMenu.hpp \
103 UIElements/Views/QT4/QTWorldView.hpp \
104 UIElements/Views/QT4/GLMoleculeView.hpp \
105 UIElements/Views/QT4/QTMoleculeView.hpp \
106 UIElements/Views/QT4/QTStatusBar.hpp
107
108QTUISOURCE = allmocs.moc.cpp \
109 UIElements/QT4/QTMainWindow.cpp \
110 UIElements/QT4/QTDialog.cpp \
111 UIElements/QT4/QTUIFactory.cpp \
112 UIElements/Menu/QT4/QTMenu.cpp \
113 UIElements/Views/QT4/QTWorldView.cpp \
114 UIElements/Views/QT4/GLMoleculeView.cpp \
115 UIElements/Views/QT4/QTMoleculeView.cpp \
116 UIElements/Views/QT4/QTStatusBar.cpp
117
118QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
119
120QTUI_DEFS =
121
122TESSELATIONSOURCE = \
123 BoundaryLineSet.cpp \
124 BoundaryPointSet.cpp \
125 BoundaryPolygonSet.cpp \
126 BoundaryTriangleSet.cpp \
127 CandidateForTesselation.cpp \
128 PointCloud.cpp \
129 tesselation.cpp \
130 tesselationhelpers.cpp \
131 TesselPoint.cpp
132
133TESSELATIONHEADER = \
134 BoundaryLineSet.hpp \
135 BoundaryPointSet.hpp \
136 BoundaryPolygonSet.hpp \
137 BoundaryTriangleSet.hpp \
138 CandidateForTesselation.hpp \
139 PointCloud.hpp \
140 tesselation.hpp \
141 tesselationhelpers.hpp \
142 TesselPoint.hpp
143
144MOLECUILDERSOURCE = \
145 ${ANALYSISSOURCE} \
146 ${ACTIONSSOURCE} \
147 ${ATOMSOURCE} \
148 ${PATTERNSOURCE} \
149 ${SHAPESOURCE} \
150 ${DESCRIPTORSOURCE} \
151 ${TESSELATIONSOURCE} \
152 bond.cpp \
153 bondgraph.cpp \
154 boundary.cpp \
155 Box.cpp \
156 CommandLineParser.cpp \
157 config.cpp \
158 ConfigFileBuffer.cpp \
159 element.cpp \
160 elements_db.cpp \
161 ellipsoid.cpp \
162 Formula.cpp \
163 graph.cpp \
164 leastsquaremin.cpp \
165 linkedcell.cpp \
166 moleculelist.cpp \
167 molecule.cpp \
168 molecule_dynamics.cpp \
169 molecule_fragmentation.cpp \
170 molecule_geometry.cpp \
171 molecule_graph.cpp \
172 molecule_pointcloud.cpp \
173 parser.cpp \
174 periodentafel.cpp \
175 ThermoStatContainer.cpp \
176 triangleintersectionlist.cpp \
177 UIElements/UIFactory.cpp \
178 World.cpp
179
180MOLECUILDERHEADER = \
181 ${ANALYSISHEADER} \
182 ${ACTIONSHEADER} \
183 ${ATOMHEADER} \
184 ${PATTERNHEADER} \
185 ${SHAPEHEADER} \
186 ${DESCRIPTORHEADER} \
187 ${TESSELATIONHEADER} \
188 bond.hpp \
189 bondgraph.hpp \
190 boundary.hpp \
191 Box.hpp \
192 CommandLineParser.hpp \
193 config.hpp \
194 ConfigFileBuffer.hpp \
195 defs.hpp \
196 element.hpp \
197 elements_db.hpp \
198 ellipsoid.hpp \
199 Formula.hpp \
200 graph.hpp \
201 leastsquaremin.hpp \
202 linkedcell.hpp \
203 lists.hpp \
204 molecule.hpp \
205 molecule_template.hpp \
206 parser.hpp \
207 periodentafel.hpp \
208 stackclass.hpp \
209 ThermoStatContainer.hpp \
210 triangleintersectionlist.hpp \
211 UIElements/UIFactory.hpp \
212 World.hpp
213
214lib_LTLIBRARIES = libMolecuilder-@MOLECUILDER_API_VERSION@.la
215libMolecuilder_includedir = $(includedir)/molecuilder-$(MOLECUILDER_API_VERSION)/Actions/
216libMolecuilder_LIBS = \
217 LinearAlgebra/libMolecuilderLinearAlgebra-@MOLECUILDER_API_VERSION@.la \
218 ${BOOST_PROGRAM_OPTIONS_LIB}
219
220# UIElements/libMolecuilderUI.a \
221 Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
222 Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
223 Exceptions/libMolecuilderExceptions-@MOLECUILDER_API_VERSION@.la \
224 Helpers/libMolecuilderHelpers-@MOLECUILDER_API_VERSION@.la \
225 $(BOOST_LIB) \
226 ${BOOST_THREAD_LIB}
227
228nobase_libMolecuilder_include_HEADERS = ${MOLECUILDERHEADER}
229
230## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
231## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
232## will therefore be treated as if it were literally part of the target name,
233## and the variable name derived from that.
234## The file extension .cc is recognized by Automake, and makes it produce
235## rules which invoke the C++ compiler to produce a libtool object file (.lo)
236## from each source file. Note that it is not necessary to list header files
237## which are already listed elsewhere in a _HEADERS variable assignment.
238libMolecuilder_@MOLECUILDER_API_VERSION@_la_SOURCES = ${MOLECUILDERSOURCE} $(srcdir)/version.c
239
240## Instruct libtool to include ABI version information in the generated shared
241## library file (.so). The library ABI version is defined in configure.ac, so
242## that all version information is kept in one place.
243libMolecuilder_@MOLECUILDER_API_VERSION@_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
244
245## The generated configuration header is installed in its own subdirectory of
246## $(libdir). The reason for this is that the configuration information put
247## into this header file describes the target platform the installed library
248## has been built for. Thus the file must not be installed into a location
249## intended for architecture-independent files, as defined by the Filesystem
250## Hierarchy Standard (FHS).
251## The nodist_ prefix instructs Automake to not generate rules for including
252## the listed files in the distribution on 'make dist'. Files that are listed
253## in _HEADERS variables are normally included in the distribution, but the
254## configuration header file is generated at configure time and should not be
255## shipped with the source tarball.
256libMolecuilder_libincludedir = $(libdir)/molecuilder-$(MOLECUILDER_API_VERSION)/include
257nodist_libMolecuilder_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
258
259## Install the generated pkg-config file (.pc) into the expected location for
260## architecture-dependent package configuration information. Occasionally,
261## pkg-config files are also used for architecture-independent data packages,
262## in which case the correct install location would be $(datadir)/pkgconfig.
263pkgconfigdir = $(libdir)/pkgconfig
264pkgconfig_DATA = $(top_builddir)/molecuilder-$(MOLECUILDER_API_VERSION).pc
265
266
267BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
268GUI_LIBS = ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
269INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
270
271noinst_LIBRARIES = libmenu.a
272bin_PROGRAMS = molecuilder molecuildergui joiner analyzer
273EXTRA_PROGRAMS = unity
274
275molecuilderdir = ${bindir}
276
277libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
278
279molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
280
281molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
282#molecuilder_CXXFLAGS += -DNO_CACHING
283molecuilder_LDFLAGS = $(BOOST_LIB)
284molecuilder_SOURCES = builder.cpp
285molecuilder_LDADD = \
286 UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la \
287 Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
288 libMolecuilder-@MOLECUILDER_API_VERSION@.la \
289 Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
290 LinearAlgebra/libMolecuilderLinearAlgebra-@MOLECUILDER_API_VERSION@.la \
291 Exceptions/libMolecuilderExceptions-@MOLECUILDER_API_VERSION@.la \
292 Helpers/libMolecuilderHelpers-@MOLECUILDER_API_VERSION@.la \
293 $(BOOST_LIB) \
294 ${BOOST_THREAD_LIB} \
295 ${BOOST_PROGRAM_OPTIONS_LIB}
296
297
298#Stuff for building the GUI using QT
299molecuildergui_SOURCES = ${QTUISOURCE} builder.cpp
300molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS} -DUSE_GUI_QT
301molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS} ${GLU_LDFLAGS}
302
303unity_SOURCES = unity.cpp
304unity_LDADD = $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
305
306molecuildergui_LDADD = \
307 UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la \
308 Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
309 libMolecuilder-@MOLECUILDER_API_VERSION@.la \
310 Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
311 LinearAlgebra/libMolecuilderLinearAlgebra-@MOLECUILDER_API_VERSION@.la \
312 Exceptions/libMolecuilderExceptions-@MOLECUILDER_API_VERSION@.la \
313 Helpers/libMolecuilderHelpers-@MOLECUILDER_API_VERSION@.la \
314 $(BOOST_LIB) \
315 ${BOOST_THREAD_LIB} \
316 ${BOOST_PROGRAM_OPTIONS_LIB} \
317 ${GUI_LIBS}
318
319joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
320joiner_LDADD = \
321 Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
322 libMolecuilder-@MOLECUILDER_API_VERSION@.la \
323 Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
324 LinearAlgebra/libMolecuilderLinearAlgebra-@MOLECUILDER_API_VERSION@.la \
325 Exceptions/libMolecuilderExceptions-@MOLECUILDER_API_VERSION@.la \
326 Helpers/libMolecuilderHelpers-@MOLECUILDER_API_VERSION@.la \
327 $(BOOST_LIB) \
328 ${BOOST_THREAD_LIB} \
329 ${BOOST_PROGRAM_OPTIONS_LIB}
330
331analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
332analyzer_LDADD = \
333 Actions/libMolecuilderActions-@MOLECUILDER_API_VERSION@.la \
334 libMolecuilder-@MOLECUILDER_API_VERSION@.la \
335 Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
336 LinearAlgebra/libMolecuilderLinearAlgebra-@MOLECUILDER_API_VERSION@.la \
337 Exceptions/libMolecuilderExceptions-@MOLECUILDER_API_VERSION@.la \
338 Helpers/libMolecuilderHelpers-@MOLECUILDER_API_VERSION@.la \
339 $(BOOST_LIB) \
340 ${BOOST_THREAD_LIB} \
341 ${BOOST_PROGRAM_OPTIONS_LIB}
342
343#Rules needed for QT4
344# UI-Files are scattered throughout several subdirectories
345# Therfore `%'-rules do not seem to work
346#Quick fix to get it done otherwise
347allmocs.moc.cpp: ${QTUIMOC_HEADER}
348 echo "" > allmocs.moc.cpp;\
349 list='$(QTUIMOC_HEADER)'; for header in $$list; do \
350 echo "Making mocfile for $$header"; \
351 target=`basename $$header | sed "s/\(.*\)\..*/\1.moc.cpp/"`;\
352 $(MOC) $(srcdir)/$$header -o $$target \
353 || eval $$failcom; \
354 echo "#include \"$$target\"" >> allmocs.moc.cpp; \
355 done;
356
357#EXTRA_DIST = ${molecuilder_DATA}
358
359FORCE:
360$(srcdir)/.git-version: FORCE
361 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
362 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
363 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
364 mv -f .git-version-t $(srcdir)/.git-version; \
365 else \
366 rm -f .git-version-t; \
367 fi
368
369EXTRA_DIST = $(srcdir)/.git-version
370
371$(srcdir)/version.c: $(srcdir)/.git-version
372 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
373
374
375unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
376 echo "" > unity.cpp; \
377 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
378 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
379 done; \
380 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
381 olddir=$$PWD;\
382 cd $$directory && make unity.cpp;\
383 cd $$olddir;\
384 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
385 done;\
386 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
387 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
388
389MOSTLYCLEANFILES = allmocs.moc.cpp unity.cpp
390
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