source: src/Makefile.am@ 3dfd9c

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 3dfd9c was 3f7587, checked in by Frederik Heber <heber@…>, 13 years ago

Made bond also an Observable.

  • for the moment this is not used.
  • Property mode set to 100644
File size: 12.6 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 =
7pyexec_LTLIBRARIES =
8BUILT_SOURCES =
9bin_PROGRAMS =
10
11include Actions/Makefile.am
12include Analysis/Makefile.am
13include Atom/Makefile.am
14include Element/Makefile.am
15include Fragmentation/Makefile.am
16include Graph/Makefile.am
17include Helpers/Makefile.am
18include LinkedCell/Makefile.am
19include Parser/Makefile.am
20include RandomNumbers/Makefile.am
21include Shapes/Makefile.am
22include UIElements/Makefile.am
23
24AM_LDFLAGS = -ldl ${BOOST_LDFLAGS}
25AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
26
27BONDSOURCE = \
28 Bond/bond.cpp \
29 Bond/bond_observable.cpp \
30 Bond/GraphEdge.cpp
31
32BONDHEADER = \
33 Bond/bond.hpp \
34 Bond/bond_observable.hpp \
35 Bond/GraphEdge.hpp
36
37DESCRIPTORSOURCE = \
38 Descriptors/AtomDescriptor.cpp \
39 Descriptors/AtomIdDescriptor.cpp \
40 Descriptors/AtomOfMoleculeDescriptor.cpp \
41 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
42 Descriptors/AtomSelectionDescriptor.cpp \
43 Descriptors/AtomShapeDescriptor.cpp \
44 Descriptors/AtomTypeDescriptor.cpp \
45 Descriptors/AtomsWithinDistanceOfDescriptor.cpp \
46 Descriptors/MoleculeDescriptor.cpp \
47 Descriptors/MoleculeFormulaDescriptor.cpp \
48 Descriptors/MoleculeIdDescriptor.cpp \
49 Descriptors/MoleculeNameDescriptor.cpp \
50 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
51 Descriptors/MoleculeOrderDescriptor.cpp \
52 Descriptors/MoleculePtrDescriptor.cpp \
53 Descriptors/MoleculeSelectionDescriptor.cpp
54
55
56DESCRIPTORHEADER = \
57 Descriptors/AtomDescriptor.hpp \
58 Descriptors/AtomIdDescriptor.hpp \
59 Descriptors/AtomOfMoleculeDescriptor.hpp \
60 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
61 Descriptors/AtomSelectionDescriptor.hpp \
62 Descriptors/AtomShapeDescriptor.hpp \
63 Descriptors/AtomTypeDescriptor.hpp \
64 Descriptors/AtomsWithinDistanceOfDescriptor.hpp \
65 Descriptors/DescriptorBase.hpp \
66 Descriptors/MoleculeDescriptor.hpp \
67 Descriptors/MoleculeFormulaDescriptor.hpp \
68 Descriptors/MoleculeIdDescriptor.hpp \
69 Descriptors/MoleculeNameDescriptor.hpp \
70 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
71 Descriptors/MoleculeOrderDescriptor.hpp \
72 Descriptors/MoleculePtrDescriptor.hpp \
73 Descriptors/MoleculeSelectionDescriptor.hpp \
74 Descriptors/SelectiveIterator.hpp
75
76DESCRIPTORIMPLHEADER = \
77 Descriptors/AtomDescriptor_impl.hpp \
78 Descriptors/AtomIdDescriptor_impl.hpp \
79 Descriptors/AtomOfMoleculeDescriptor_impl.hpp \
80 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
81 Descriptors/AtomSelectionDescriptor_impl.hpp \
82 Descriptors/AtomShapeDescriptor_impl.hpp \
83 Descriptors/AtomTypeDescriptor_impl.hpp \
84 Descriptors/AtomsWithinDistanceOfDescriptor_impl.hpp \
85 Descriptors/DescriptorBase_impl.hpp \
86 Descriptors/MoleculeDescriptor_impl.hpp \
87 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
88 Descriptors/MoleculeIdDescriptor_impl.hpp \
89 Descriptors/MoleculeNameDescriptor_impl.hpp \
90 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
91 Descriptors/MoleculeOrderDescriptor_impl.hpp \
92 Descriptors/MoleculePtrDescriptor_impl.hpp \
93 Descriptors/MoleculeSelectionDescriptor_impl.hpp \
94 Descriptors/SelectiveIterator_impl.hpp
95
96DYNAMICSSOURCE = \
97 Dynamics/MinimiseConstrainedPotential.cpp
98
99DYNAMICSHEADER = \
100 Dynamics/LinearInterpolationBetweenSteps.hpp \
101 Dynamics/MinimiseConstrainedPotential.hpp \
102 Dynamics/OutputTemperature.hpp \
103 Dynamics/VerletForceIntegration.hpp
104
105THERMOSTATSOURCE = \
106 Thermostats/Berendsen.cpp \
107 Thermostats/GaussianThermostat.cpp \
108 Thermostats/Langevin.cpp \
109 Thermostats/NoseHoover.cpp \
110 Thermostats/NoThermostat.cpp \
111 Thermostats/Thermostat.cpp \
112 Thermostats/ThermoStatContainer.cpp \
113 Thermostats/Woodcock.cpp
114
115THERMOSTATHEADER = \
116 Thermostats/Berendsen.hpp \
117 Thermostats/GaussianThermostat.hpp \
118 Thermostats/Langevin.hpp \
119 Thermostats/NoseHoover.hpp \
120 Thermostats/NoThermostat.hpp \
121 Thermostats/Thermostat.hpp \
122 Thermostats/ThermoStatContainer.hpp \
123 Thermostats/Woodcock.hpp
124
125TESSELATIONSOURCE = \
126 Tesselation/boundary.cpp \
127 Tesselation/BoundaryLineSet.cpp \
128 Tesselation/BoundaryPointSet.cpp \
129 Tesselation/BoundaryPolygonSet.cpp \
130 Tesselation/BoundaryTriangleSet.cpp \
131 Tesselation/CandidateForTesselation.cpp \
132 Tesselation/ellipsoid.cpp \
133 Tesselation/tesselation.cpp \
134 Tesselation/tesselationhelpers.cpp \
135 Tesselation/triangleintersectionlist.cpp
136
137TESSELATIONHEADER = \
138 Tesselation/boundary.hpp \
139 Tesselation/BoundaryLineSet.hpp \
140 Tesselation/BoundaryMaps.hpp \
141 Tesselation/BoundaryPointSet.hpp \
142 Tesselation/BoundaryPolygonSet.hpp \
143 Tesselation/BoundaryTriangleSet.hpp \
144 Tesselation/CandidateForTesselation.hpp \
145 Tesselation/ellipsoid.hpp \
146 Tesselation/tesselation.hpp \
147 Tesselation/tesselationhelpers.hpp \
148 Tesselation/triangleintersectionlist.hpp
149
150MOLECUILDERSOURCE = \
151 ${BONDSOURCE} \
152 ${DESCRIPTORSOURCE} \
153 ${DYNAMICSSOURCE} \
154 ${THERMOSTATSOURCE} \
155 ${TESSELATIONSOURCE} \
156 Box.cpp \
157 config.cpp \
158 Formula.cpp \
159 MoleculeLeafClass.cpp \
160 moleculelist.cpp \
161 molecule.cpp \
162 molecule_geometry.cpp \
163 molecule_graph.cpp \
164 UIElements/UIFactory.cpp \
165 version.c \
166 World.cpp \
167 WorldTime.cpp
168
169MOLECUILDERHEADER = \
170 ${BONDHEADER} \
171 ${DESCRIPTORHEADER} \
172 ${DESCRIPTORIMPLHEADER} \
173 ${DYNAMICSHEADER} \
174 ${THERMOSTATHEADER} \
175 ${TESSELATIONHEADER} \
176 Box.hpp \
177 config.hpp \
178 Formula.hpp \
179 IdPool.hpp \
180 IdPool_impl.hpp \
181 MoleculeLeafClass.hpp \
182 MoleculeListClass.hpp \
183 molecule.hpp \
184 types.hpp \
185 UIElements/UIFactory.hpp \
186 version.h \
187 World.hpp \
188 World_calculations.hpp \
189 WorldTime.hpp
190
191noinst_LTLIBRARIES += libMolecuilder.la
192libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
193
194nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
195
196## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
197## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
198## will therefore be treated as if it were literally part of the target name,
199## and the variable name derived from that.
200## The file extension .cc is recognized by Automake, and makes it produce
201## rules which invoke the C++ compiler to produce a libtool object file (.lo)
202## from each source file. Note that it is not necessary to list header files
203## which are already listed elsewhere in a _HEADERS variable assignment.
204libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
205
206## Instruct libtool to include ABI version information in the generated shared
207## library file (.so). The library ABI version is defined in configure.ac, so
208## that all version information is kept in one place.
209#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
210
211## The generated configuration header is installed in its own subdirectory of
212## $(libdir). The reason for this is that the configuration information put
213## into this header file describes the target platform the installed library
214## has been built for. Thus the file must not be installed into a location
215## intended for architecture-independent files, as defined by the Filesystem
216## Hierarchy Standard (FHS).
217## The nodist_ prefix instructs Automake to not generate rules for including
218## the listed files in the distribution on 'make dist'. Files that are listed
219## in _HEADERS variables are normally included in the distribution, but the
220## configuration header file is generated at configure time and should not be
221## shipped with the source tarball.
222libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
223nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
224
225## Install the generated pkg-config file (.pc) into the expected location for
226## architecture-dependent package configuration information. Occasionally,
227## pkg-config files are also used for architecture-independent data packages,
228## in which case the correct install location would be $(datadir)/pkgconfig.
229pkgconfigdir = $(libdir)/pkgconfig
230pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
231
232
233INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
234
235libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
236noinst_LIBRARIES = libmenu.a
237bin_PROGRAMS += molecuilder joiner analyzer
238EXTRA_PROGRAMS = unity
239
240
241extrastuffdir = $(datadir)/@PACKAGE@/data
242databasedir = $(extrastuffdir)/databases
243database_DATA = \
244 ${top_srcdir}/data/databases/*.db
245
246bondtabledir = $(extrastuffdir)/bondtables
247bondtable_DATA = \
248 ${top_srcdir}/data/bondtables/*.dat
249
250moleculedir = $(extrastuffdir)/molecules
251molecule_DATA = \
252 ${top_srcdir}/data/molecules/*.pdb
253
254if CONDPYTHON
255pyexec_LTLIBRARIES += pyMoleCuilder.la
256pyMoleCuilder_la_SOURCES = \
257 cleanUp.cpp \
258 cleanUp.hpp \
259 Actions/Action_impl_python.hpp \
260 Actions/GlobalListOfActions.hpp \
261 Actions/ActionHistory.hpp \
262 Actions/pyMoleCuilder.cpp
263pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
264pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
265pyMoleCuilder_la_LIBADD = \
266 libMolecuilderUI.la \
267 $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
268 ${CodePatterns_LIBS} \
269 -l$(PYTHON_LIB)
270endif
271
272
273molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
274#molecuilder_CXXFLAGS += -DNO_CACHING
275molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
276molecuilder_SOURCES = \
277 builder.cpp \
278 builder_init.cpp \
279 builder_init.hpp \
280 cleanUp.cpp \
281 cleanUp.hpp
282molecuilder_LDADD = \
283 libMolecuilderUI.la \
284 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
285 ${CodePatterns_LIBS} \
286 $(BOOST_THREAD_LIBS) \
287 $(BOOST_PROGRAM_OPTIONS_LIBS) \
288 $(BOOST_RANDOM_LIBS) \
289 $(BOOST_SYSTEM_LIBS) \
290 $(BOOST_FILESYSTEM_LIBS)
291
292#Stuff for building the GUI using Qt
293if CONDQTGUI
294bin_PROGRAMS += molecuildergui
295molecuildergui_SOURCES = \
296 builder.cpp \
297 builder_init.cpp \
298 builder_init.hpp \
299 cleanUp.cpp \
300 cleanUp.hpp
301molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
302molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
303molecuildergui_LDADD = \
304 libMolecuilderQtUI.la \
305 libMolecuilderUI.la \
306 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
307 ${CodePatterns_LIBS} \
308 $(BOOST_THREAD_LIBS) \
309 $(BOOST_PROGRAM_OPTIONS_LIBS) \
310 $(BOOST_RANDOM_LIBS) \
311 $(BOOST_SYSTEM_LIBS) \
312 $(BOOST_FILESYSTEM_LIBS) \
313 $(GUI_LIBS)
314endif
315
316joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
317joiner_CXXFLAGS = $(AM_CPPFLAGS)
318joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
319joiner_LDADD = \
320 libMolecuilderFragmentation.la \
321 libMolecuilderHelpers.la \
322 libMolecuilderElement.la \
323 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
324 ${CodePatterns_LIBS} \
325 $(BOOST_THREAD_LIBS)
326
327analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
328analyzer_CXXFLAGS = $(AM_CPPFLAGS)
329analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
330analyzer_LDADD = \
331 libMolecuilderFragmentation.la \
332 libMolecuilderHelpers.la \
333 libMolecuilderElement.la \
334 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
335 ${CodePatterns_LIBS} \
336 $(BOOST_THREAD_LIBS)
337
338unity_SOURCES = unity.cpp
339unity_CXXFLAGS = $(AM_CPPFLAGS)
340unity_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
341unity_LDADD = \
342 ${CodePatterns_LIBS} \
343 $(BOOST_THREAD_LIBS) \
344 $(BOOST_PROGRAM_OPTIONS_LIBS) \
345 $(BOOST_RANDOM_LIBS) \
346 $(BOOST_SYSTEM_LIBS) \
347 $(BOOST_FILESYSTEM_LIBS)
348
349
350FORCE:
351$(srcdir)/.git-version: FORCE
352 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
353 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
354 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
355 mv -f .git-version-t $(srcdir)/.git-version; \
356 else \
357 rm -f .git-version-t; \
358 fi
359
360EXTRA_DIST = \
361 $(srcdir)/.git-version \
362 $(bondtable_DATA) \
363 $(database_DATA) \
364 $(molecule_DATA)
365
366$(srcdir)/version.c: $(srcdir)/.git-version
367 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
368
369
370unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
371 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
372 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
373 done; \
374 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
375 olddir=$$PWD;\
376 cd $$directory && make unity.cpp;\
377 cd $$olddir;\
378 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
379 done;\
380 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
381 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
382
383MOSTLYCLEANFILES += unity.cpp
384
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