source: src/Makefile.am@ 6625c3

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 6625c3 was 6625c3, checked in by Frederik Heber <heber@…>, 14 years ago

Removed atom_trajectoryparticle*, replaced by AtomInfo class now having std::vector<> for trajectories.

AtomInfo:

Other changes:

  • gsl_rng_gaussian() exchanged by boost::random specific type.
  • Property mode set to 100644
File size: 12.3 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
121THERMOSTATSOURCE = \
122 Thermostats/Berendsen.cpp \
123 Thermostats/GaussianThermostat.cpp \
124 Thermostats/Langevin.cpp \
125 Thermostats/NoseHoover.cpp \
126 Thermostats/NoThermostat.cpp \
127 Thermostats/Thermostat.cpp \
128 Thermostats/Woodcock.cpp
129
130THERMOSTATHEADER = \
131 Thermostats/Berendsen.hpp \
132 Thermostats/GaussianThermostat.hpp \
133 Thermostats/Langevin.hpp \
134 Thermostats/NoseHoover.hpp \
135 Thermostats/NoThermostat.hpp \
136 Thermostats/Thermostat.hpp \
137 Thermostats/Woodcock.hpp
138
139TESSELATIONSOURCE = \
140 BoundaryLineSet.cpp \
141 BoundaryPointSet.cpp \
142 BoundaryPolygonSet.cpp \
143 BoundaryTriangleSet.cpp \
144 CandidateForTesselation.cpp \
145 PointCloud.cpp \
146 tesselation.cpp \
147 tesselationhelpers.cpp \
148 TesselPoint.cpp
149
150TESSELATIONHEADER = \
151 BoundaryLineSet.hpp \
152 BoundaryPointSet.hpp \
153 BoundaryPolygonSet.hpp \
154 BoundaryTriangleSet.hpp \
155 CandidateForTesselation.hpp \
156 PointCloud.hpp \
157 tesselation.hpp \
158 tesselationhelpers.hpp \
159 TesselPoint.hpp
160
161MOLECUILDERSOURCE = \
162 ${ANALYSISSOURCE} \
163 ${ACTIONSSOURCE} \
164 ${ATOMSOURCE} \
165 ${DESCRIPTORSOURCE} \
166 ${RANDOMSOURCE} \
167 ${THERMOSTATSOURCE} \
168 ${TESSELATIONSOURCE} \
169 Helpers/defs.cpp \
170 Helpers/helpers.cpp \
171 bond.cpp \
172 bondgraph.cpp \
173 boundary.cpp \
174 Box.cpp \
175 config.cpp \
176 ConfigFileBuffer.cpp \
177 element.cpp \
178 elements_db.cpp \
179 ellipsoid.cpp \
180 Formula.cpp \
181 graph.cpp \
182 linkedcell.cpp \
183 moleculelist.cpp \
184 molecule.cpp \
185 molecule_dynamics.cpp \
186 molecule_fragmentation.cpp \
187 molecule_geometry.cpp \
188 molecule_graph.cpp \
189 molecule_pointcloud.cpp \
190 parser.cpp \
191 periodentafel.cpp \
192 ThermoStatContainer.cpp \
193 triangleintersectionlist.cpp \
194 UIElements/UIFactory.cpp \
195 World.cpp \
196 WorldTime.cpp
197
198MOLECUILDERHEADER = \
199 ${ANALYSISHEADER} \
200 ${ACTIONSHEADER} \
201 ${ATOMHEADER} \
202 ${DESCRIPTORHEADER} \
203 ${DESCRIPTORIMPLHEADER} \
204 ${RANDOMSOURCE} \
205 ${THERMOSTATHEADER} \
206 ${TESSELATIONHEADER} \
207 Helpers/defs.hpp \
208 Helpers/fast_functions.hpp \
209 Helpers/helpers.hpp \
210 bond.hpp \
211 bondgraph.hpp \
212 boundary.hpp \
213 Box.hpp \
214 config.hpp \
215 ConfigFileBuffer.hpp \
216 element.hpp \
217 elements_db.hpp \
218 ellipsoid.hpp \
219 Formula.hpp \
220 graph.hpp \
221 linkedcell.hpp \
222 lists.hpp \
223 molecule.hpp \
224 parser.hpp \
225 periodentafel.hpp \
226 ThermoStatContainer.hpp \
227 triangleintersectionlist.hpp \
228 UIElements/UIFactory.hpp \
229 World.hpp \
230 WorldTime.hpp
231
232lib_LTLIBRARIES = libMolecuilder.la
233libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
234libMolecuilder_la_LIBADD = \
235 LinearAlgebra/libMolecuilderLinearAlgebra.la \
236 ${CodePatterns_LIBS} \
237 ${BOOST_PROGRAM_OPTIONS_LIB}
238
239nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
240
241## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
242## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
243## will therefore be treated as if it were literally part of the target name,
244## and the variable name derived from that.
245## The file extension .cc is recognized by Automake, and makes it produce
246## rules which invoke the C++ compiler to produce a libtool object file (.lo)
247## from each source file. Note that it is not necessary to list header files
248## which are already listed elsewhere in a _HEADERS variable assignment.
249libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE} $(srcdir)/version.c
250
251## Instruct libtool to include ABI version information in the generated shared
252## library file (.so). The library ABI version is defined in configure.ac, so
253## that all version information is kept in one place.
254libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
255
256## The generated configuration header is installed in its own subdirectory of
257## $(libdir). The reason for this is that the configuration information put
258## into this header file describes the target platform the installed library
259## has been built for. Thus the file must not be installed into a location
260## intended for architecture-independent files, as defined by the Filesystem
261## Hierarchy Standard (FHS).
262## The nodist_ prefix instructs Automake to not generate rules for including
263## the listed files in the distribution on 'make dist'. Files that are listed
264## in _HEADERS variables are normally included in the distribution, but the
265## configuration header file is generated at configure time and should not be
266## shipped with the source tarball.
267libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
268nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
269
270## Install the generated pkg-config file (.pc) into the expected location for
271## architecture-dependent package configuration information. Occasionally,
272## pkg-config files are also used for architecture-independent data packages,
273## in which case the correct install location would be $(datadir)/pkgconfig.
274pkgconfigdir = $(libdir)/pkgconfig
275pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
276
277
278BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) $(BOOST_PROGRAM_OPTIONS_LIB) $(BOOST_FILESYSTEM_LIB) $(BOOST_SYSTEM_LIB) $(BOOST_THREAD_LIB)
279INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
280
281noinst_LIBRARIES = libmenu.a
282bin_PROGRAMS = molecuilder molecuildergui joiner analyzer SubspaceFactorizer
283EXTRA_PROGRAMS = unity
284
285molecuilderdir = ${bindir}
286
287libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
288
289molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
290
291SubspaceFactorizer_CXXFLAGS = $(BOOST_CPPFLAGS)
292SubspaceFactorizer_SOURCES = SubspaceFactorizer.cpp Helpers/defs.cpp Helpers/defs.hpp Helpers/helpers.cpp Helpers/helpers.hpp
293SubspaceFactorizer_LDADD = \
294 LinearAlgebra/libMolecuilderLinearAlgebra.la \
295 Exceptions/libMolecuilderExceptions.la \
296 ${CodePatterns_LIBS} \
297 $(GSLLIB) \
298 $(BOOST_LIB)
299
300molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
301#molecuilder_CXXFLAGS += -DNO_CACHING
302molecuilder_LDFLAGS = $(BOOST_LIB)
303molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
304molecuilder_LDADD = \
305 UIElements/libMolecuilderUI.la \
306 Actions/libMolecuilderActions.la \
307 libMolecuilder.la \
308 Parser/libMolecuilderParser.la \
309 Shapes/libMolecuilderShapes.la \
310 LinearAlgebra/libMolecuilderLinearAlgebra.la \
311 Exceptions/libMolecuilderExceptions.la \
312 RandomNumbers/libMolecuilderRandomNumbers.la \
313 ${CodePatterns_LIBS} \
314 $(BOOST_LIB)
315
316#Stuff for building the GUI using Qt
317molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
318molecuildergui_CXXFLAGS = $(BOOST_CPPFLAGS) -DUSE_GUI_QT
319molecuildergui_LDFLAGS = $(BOOST_LIB)
320
321unity_SOURCES = unity.cpp
322unity_LDADD = $(BOOST_LIB)
323
324molecuildergui_LDADD = \
325 UIElements/libMolecuilderUI.la \
326 UIElements/libMolecuilderQtUI.la \
327 Actions/libMolecuilderActions.la \
328 libMolecuilder.la \
329 Parser/libMolecuilderParser.la \
330 Shapes/libMolecuilderShapes.la \
331 LinearAlgebra/libMolecuilderLinearAlgebra.la \
332 Exceptions/libMolecuilderExceptions.la \
333 RandomNumbers/libMolecuilderRandomNumbers.la \
334 ${CodePatterns_LIBS} \
335 $(BOOST_LIB) \
336 ${GUI_LIBS}
337
338joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
339joiner_LDADD = \
340 UIElements/libMolecuilderUI.la \
341 Actions/libMolecuilderActions.la \
342 libMolecuilder.la \
343 Parser/libMolecuilderParser.la \
344 Shapes/libMolecuilderShapes.la \
345 LinearAlgebra/libMolecuilderLinearAlgebra.la \
346 Exceptions/libMolecuilderExceptions.la \
347 RandomNumbers/libMolecuilderRandomNumbers.la \
348 ${CodePatterns_LIBS} \
349 $(BOOST_LIB)
350
351analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
352analyzer_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
364#EXTRA_DIST = ${molecuilder_DATA}
365
366FORCE:
367$(srcdir)/.git-version: FORCE
368 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
369 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
370 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
371 mv -f .git-version-t $(srcdir)/.git-version; \
372 else \
373 rm -f .git-version-t; \
374 fi
375
376EXTRA_DIST = $(srcdir)/.git-version
377
378$(srcdir)/version.c: $(srcdir)/.git-version
379 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
380
381
382unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
383 echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" > unity.cpp; \
384 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
385 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
386 done; \
387 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
388 olddir=$$PWD;\
389 cd $$directory && make unity.cpp;\
390 cd $$olddir;\
391 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
392 done;\
393 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
394 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
395
396MOSTLYCLEANFILES = unity.cpp
397
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