source: src/Makefile.am@ 47d041

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 47d041 was d3abb1, checked in by Frederik Heber <heber@…>, 13 years ago

Extracted MoleculeLeafClass into own module.

  • removed some unnecessary includes in moleculelist.cpp.
  • Property mode set to 100644
File size: 11.6 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4MOSTLYCLEANFILES =
5lib_LTLIBRARIES =
6noinst_LTLIBRARIES =
7bin_PROGRAMS =
8
9include Actions/Makefile.am
10include Analysis/Makefile.am
11include Element/Makefile.am
12include Fragmentation/Makefile.am
13include Graph/Makefile.am
14include Helpers/Makefile.am
15include Parser/Makefile.am
16include RandomNumbers/Makefile.am
17include Shapes/Makefile.am
18include UIElements/Makefile.am
19
20AM_LDFLAGS = -ldl ${BOOST_LDFLAGS}
21AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
22
23ATOMSOURCE = \
24 atom.cpp \
25 AtomicInfo.cpp \
26 atom_atominfo.cpp \
27 atom_bondedparticle.cpp \
28 atom_bondedparticleinfo.cpp \
29 atom_graphnode.cpp \
30 atom_graphnodeinfo.cpp \
31 atom_observable.cpp \
32 atom_particleinfo.cpp
33ATOMHEADER = \
34 atom.hpp \
35 atom_atominfo.hpp \
36 atom_bondedparticle.hpp \
37 atom_bondedparticleinfo.hpp \
38 atom_graphnode.hpp \
39 atom_graphnodeinfo.hpp \
40 atom_observable.hpp \
41 atom_particleinfo.hpp \
42 AtomicInfo.hpp \
43 AtomSet.hpp
44
45BONDSOURCE = \
46 Bond/bond.cpp \
47 Bond/GraphEdge.cpp
48
49BONDHEADER = \
50 Bond/bond.hpp \
51 Bond/GraphEdge.hpp
52
53DESCRIPTORSOURCE = \
54 Descriptors/AtomDescriptor.cpp \
55 Descriptors/AtomIdDescriptor.cpp \
56 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
57 Descriptors/AtomSelectionDescriptor.cpp \
58 Descriptors/AtomShapeDescriptor.cpp \
59 Descriptors/AtomTypeDescriptor.cpp \
60 Descriptors/MoleculeDescriptor.cpp \
61 Descriptors/MoleculeFormulaDescriptor.cpp \
62 Descriptors/MoleculeIdDescriptor.cpp \
63 Descriptors/MoleculeNameDescriptor.cpp \
64 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
65 Descriptors/MoleculeOrderDescriptor.cpp \
66 Descriptors/MoleculePtrDescriptor.cpp \
67 Descriptors/MoleculeSelectionDescriptor.cpp
68
69
70DESCRIPTORHEADER = \
71 Descriptors/AtomDescriptor.hpp \
72 Descriptors/AtomIdDescriptor.hpp \
73 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
74 Descriptors/AtomSelectionDescriptor.hpp \
75 Descriptors/AtomShapeDescriptor.hpp \
76 Descriptors/AtomTypeDescriptor.hpp \
77 Descriptors/DescriptorBase.hpp \
78 Descriptors/MoleculeDescriptor.hpp \
79 Descriptors/MoleculeFormulaDescriptor.hpp \
80 Descriptors/MoleculeIdDescriptor.hpp \
81 Descriptors/MoleculeNameDescriptor.hpp \
82 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
83 Descriptors/MoleculeOrderDescriptor.hpp \
84 Descriptors/MoleculePtrDescriptor.hpp \
85 Descriptors/MoleculeSelectionDescriptor.hpp \
86 Descriptors/SelectiveIterator.hpp
87
88DESCRIPTORIMPLHEADER = \
89 Descriptors/AtomDescriptor_impl.hpp \
90 Descriptors/AtomIdDescriptor_impl.hpp \
91 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
92 Descriptors/AtomSelectionDescriptor_impl.hpp \
93 Descriptors/AtomShapeDescriptor_impl.hpp \
94 Descriptors/AtomTypeDescriptor_impl.hpp \
95 Descriptors/DescriptorBase_impl.hpp \
96 Descriptors/MoleculeDescriptor_impl.hpp \
97 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
98 Descriptors/MoleculeIdDescriptor_impl.hpp \
99 Descriptors/MoleculeNameDescriptor_impl.hpp \
100 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
101 Descriptors/MoleculeOrderDescriptor_impl.hpp \
102 Descriptors/MoleculePtrDescriptor_impl.hpp \
103 Descriptors/MoleculeSelectionDescriptor_impl.hpp \
104 Descriptors/SelectiveIterator_impl.hpp
105
106DYNAMICSSOURCE = \
107 Dynamics/MinimiseConstrainedPotential.cpp
108
109DYNAMICSHEADER = \
110 Dynamics/LinearInterpolationBetweenSteps.hpp \
111 Dynamics/MinimiseConstrainedPotential.hpp \
112 Dynamics/OutputTemperature.hpp \
113 Dynamics/VerletForceIntegration.hpp
114
115THERMOSTATSOURCE = \
116 Thermostats/Berendsen.cpp \
117 Thermostats/GaussianThermostat.cpp \
118 Thermostats/Langevin.cpp \
119 Thermostats/NoseHoover.cpp \
120 Thermostats/NoThermostat.cpp \
121 Thermostats/Thermostat.cpp \
122 Thermostats/Woodcock.cpp
123
124THERMOSTATHEADER = \
125 Thermostats/Berendsen.hpp \
126 Thermostats/GaussianThermostat.hpp \
127 Thermostats/Langevin.hpp \
128 Thermostats/NoseHoover.hpp \
129 Thermostats/NoThermostat.hpp \
130 Thermostats/Thermostat.hpp \
131 Thermostats/Woodcock.hpp
132
133TESSELATIONSOURCE = \
134 Tesselation/boundary.cpp \
135 Tesselation/BoundaryLineSet.cpp \
136 Tesselation/BoundaryPointSet.cpp \
137 Tesselation/BoundaryPolygonSet.cpp \
138 Tesselation/BoundaryTriangleSet.cpp \
139 Tesselation/CandidateForTesselation.cpp \
140 Tesselation/ellipsoid.cpp \
141 Tesselation/tesselation.cpp \
142 Tesselation/tesselationhelpers.cpp \
143 Tesselation/TesselPoint.cpp \
144 Tesselation/triangleintersectionlist.cpp
145
146TESSELATIONHEADER = \
147 Tesselation/boundary.hpp \
148 Tesselation/BoundaryLineSet.hpp \
149 Tesselation/BoundaryMaps.hpp \
150 Tesselation/BoundaryPointSet.hpp \
151 Tesselation/BoundaryPolygonSet.hpp \
152 Tesselation/BoundaryTriangleSet.hpp \
153 Tesselation/CandidateForTesselation.hpp \
154 Tesselation/ellipsoid.hpp \
155 IPointCloud.hpp \
156 PointCloudAdaptor.hpp \
157 Tesselation/tesselation.hpp \
158 Tesselation/tesselationhelpers.hpp \
159 Tesselation/TesselPoint.hpp \
160 Tesselation/triangleintersectionlist.hpp
161
162MOLECUILDERSOURCE = \
163 ${ATOMSOURCE} \
164 ${BONDSOURCE} \
165 ${DESCRIPTORSOURCE} \
166 ${DYNAMICSSOURCE} \
167 ${THERMOSTATSOURCE} \
168 ${TESSELATIONSOURCE} \
169 Box.cpp \
170 config.cpp \
171 ConfigFileBuffer.cpp \
172 Formula.cpp \
173 linkedcell.cpp \
174 MoleculeLeafClass.cpp \
175 moleculelist.cpp \
176 molecule.cpp \
177 molecule_geometry.cpp \
178 molecule_graph.cpp \
179 ThermoStatContainer.cpp \
180 UIElements/UIFactory.cpp \
181 version.c \
182 World.cpp \
183 WorldTime.cpp
184
185MOLECUILDERHEADER = \
186 ${ATOMHEADER} \
187 ${BONDHEADER} \
188 ${DESCRIPTORHEADER} \
189 ${DESCRIPTORIMPLHEADER} \
190 ${DYNAMICSHEADER} \
191 ${THERMOSTATHEADER} \
192 ${TESSELATIONHEADER} \
193 Box.hpp \
194 config.hpp \
195 ConfigFileBuffer.hpp \
196 Formula.hpp \
197 linkedcell.hpp \
198 MoleculeLeafClass.hpp \
199 molecule.hpp \
200 ThermoStatContainer.hpp \
201 types.hpp \
202 UIElements/UIFactory.hpp \
203 version.h \
204 World.hpp \
205 World_calculations.hpp \
206 WorldTime.hpp
207
208noinst_LTLIBRARIES += libMolecuilder.la
209libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
210
211nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
212
213## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
214## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
215## will therefore be treated as if it were literally part of the target name,
216## and the variable name derived from that.
217## The file extension .cc is recognized by Automake, and makes it produce
218## rules which invoke the C++ compiler to produce a libtool object file (.lo)
219## from each source file. Note that it is not necessary to list header files
220## which are already listed elsewhere in a _HEADERS variable assignment.
221libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
222
223## Instruct libtool to include ABI version information in the generated shared
224## library file (.so). The library ABI version is defined in configure.ac, so
225## that all version information is kept in one place.
226#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
227
228## The generated configuration header is installed in its own subdirectory of
229## $(libdir). The reason for this is that the configuration information put
230## into this header file describes the target platform the installed library
231## has been built for. Thus the file must not be installed into a location
232## intended for architecture-independent files, as defined by the Filesystem
233## Hierarchy Standard (FHS).
234## The nodist_ prefix instructs Automake to not generate rules for including
235## the listed files in the distribution on 'make dist'. Files that are listed
236## in _HEADERS variables are normally included in the distribution, but the
237## configuration header file is generated at configure time and should not be
238## shipped with the source tarball.
239libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
240nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
241
242## Install the generated pkg-config file (.pc) into the expected location for
243## architecture-dependent package configuration information. Occasionally,
244## pkg-config files are also used for architecture-independent data packages,
245## in which case the correct install location would be $(datadir)/pkgconfig.
246pkgconfigdir = $(libdir)/pkgconfig
247pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
248
249
250INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
251
252noinst_LIBRARIES = libmenu.a
253bin_PROGRAMS += molecuilder molecuildergui joiner analyzer
254EXTRA_PROGRAMS = unity
255
256molecuilderdir = ${bindir}
257
258libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
259
260molecuilder_DATA = Element/elements.db Element/valence.db Element/orbitals.db Element/Hbonddistance.db Element/Hbondangle.db
261
262molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
263#molecuilder_CXXFLAGS += -DNO_CACHING
264molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
265molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
266molecuilder_LDADD = \
267 libMolecuilderUI.la \
268 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
269 ${CodePatterns_LIBS} \
270 $(BOOST_THREAD_LIBS) \
271 $(BOOST_PROGRAM_OPTIONS_LIBS) \
272 $(BOOST_RANDOM_LIBS) \
273 $(BOOST_SYSTEM_LIBS) \
274 $(BOOST_FILESYSTEM_LIBS)
275
276#Stuff for building the GUI using Qt
277molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
278molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
279molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
280molecuildergui_LDADD = \
281 libMolecuilderQtUI.la \
282 libMolecuilderUI.la \
283 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
284 ${CodePatterns_LIBS} \
285 $(BOOST_THREAD_LIBS) \
286 $(BOOST_PROGRAM_OPTIONS_LIBS) \
287 $(BOOST_RANDOM_LIBS) \
288 $(BOOST_SYSTEM_LIBS) \
289 $(BOOST_FILESYSTEM_LIBS) \
290 $(GUI_LIBS)
291
292joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
293joiner_LDADD = \
294 libMolecuilderFragmentation.la \
295 libMolecuilderHelpers.la \
296 libMolecuilderElement.la \
297 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
298 ${CodePatterns_LIBS} \
299 $(BOOST_THREAD_LIBS)
300
301analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
302analyzer_LDADD = \
303 libMolecuilderFragmentation.la \
304 libMolecuilderHelpers.la \
305 libMolecuilderElement.la \
306 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
307 ${CodePatterns_LIBS} \
308 $(BOOST_THREAD_LIBS)
309
310unity_SOURCES = unity.cpp
311unity_LDADD = \
312 ${CodePatterns_LIBS} \
313 $(BOOST_THREAD_LIBS) \
314 $(BOOST_PROGRAM_OPTIONS_LIBS) \
315 $(BOOST_RANDOM_LIBS) \
316 $(BOOST_SYSTEM_LIBS) \
317 $(BOOST_FILESYSTEM_LIBS)
318
319
320FORCE:
321$(srcdir)/.git-version: FORCE
322 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
323 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
324 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
325 mv -f .git-version-t $(srcdir)/.git-version; \
326 else \
327 rm -f .git-version-t; \
328 fi
329
330EXTRA_DIST = $(srcdir)/.git-version $(molecuilder_DATA)
331
332$(srcdir)/version.c: $(srcdir)/.git-version
333 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
334
335
336unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
337 echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" > unity.cpp; \
338 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
339 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
340 done; \
341 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
342 olddir=$$PWD;\
343 cd $$directory && make unity.cpp;\
344 cd $$olddir;\
345 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
346 done;\
347 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
348 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
349
350MOSTLYCLEANFILES += unity.cpp
351
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