source: src/Makefile.am@ b49568

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 b49568 was b49568, checked in by Frederik Heber <heber@…>, 13 years ago

Added new descriptor AtomOfMolecule.

  • also added new unit test function.
  • Property mode set to 100644
File size: 12.4 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/GraphEdge.cpp
30
31BONDHEADER = \
32 Bond/bond.hpp \
33 Bond/GraphEdge.hpp
34
35DESCRIPTORSOURCE = \
36 Descriptors/AtomDescriptor.cpp \
37 Descriptors/AtomIdDescriptor.cpp \
38 Descriptors/AtomOfMoleculeDescriptor.cpp \
39 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
40 Descriptors/AtomSelectionDescriptor.cpp \
41 Descriptors/AtomShapeDescriptor.cpp \
42 Descriptors/AtomTypeDescriptor.cpp \
43 Descriptors/MoleculeDescriptor.cpp \
44 Descriptors/MoleculeFormulaDescriptor.cpp \
45 Descriptors/MoleculeIdDescriptor.cpp \
46 Descriptors/MoleculeNameDescriptor.cpp \
47 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
48 Descriptors/MoleculeOrderDescriptor.cpp \
49 Descriptors/MoleculePtrDescriptor.cpp \
50 Descriptors/MoleculeSelectionDescriptor.cpp
51
52
53DESCRIPTORHEADER = \
54 Descriptors/AtomDescriptor.hpp \
55 Descriptors/AtomIdDescriptor.hpp \
56 Descriptors/AtomOfMoleculeDescriptor.hpp \
57 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
58 Descriptors/AtomSelectionDescriptor.hpp \
59 Descriptors/AtomShapeDescriptor.hpp \
60 Descriptors/AtomTypeDescriptor.hpp \
61 Descriptors/DescriptorBase.hpp \
62 Descriptors/MoleculeDescriptor.hpp \
63 Descriptors/MoleculeFormulaDescriptor.hpp \
64 Descriptors/MoleculeIdDescriptor.hpp \
65 Descriptors/MoleculeNameDescriptor.hpp \
66 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
67 Descriptors/MoleculeOrderDescriptor.hpp \
68 Descriptors/MoleculePtrDescriptor.hpp \
69 Descriptors/MoleculeSelectionDescriptor.hpp \
70 Descriptors/SelectiveIterator.hpp
71
72DESCRIPTORIMPLHEADER = \
73 Descriptors/AtomDescriptor_impl.hpp \
74 Descriptors/AtomIdDescriptor_impl.hpp \
75 Descriptors/AtomOfMoleculeDescriptor_impl.hpp \
76 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
77 Descriptors/AtomSelectionDescriptor_impl.hpp \
78 Descriptors/AtomShapeDescriptor_impl.hpp \
79 Descriptors/AtomTypeDescriptor_impl.hpp \
80 Descriptors/DescriptorBase_impl.hpp \
81 Descriptors/MoleculeDescriptor_impl.hpp \
82 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
83 Descriptors/MoleculeIdDescriptor_impl.hpp \
84 Descriptors/MoleculeNameDescriptor_impl.hpp \
85 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
86 Descriptors/MoleculeOrderDescriptor_impl.hpp \
87 Descriptors/MoleculePtrDescriptor_impl.hpp \
88 Descriptors/MoleculeSelectionDescriptor_impl.hpp \
89 Descriptors/SelectiveIterator_impl.hpp
90
91DYNAMICSSOURCE = \
92 Dynamics/MinimiseConstrainedPotential.cpp
93
94DYNAMICSHEADER = \
95 Dynamics/LinearInterpolationBetweenSteps.hpp \
96 Dynamics/MinimiseConstrainedPotential.hpp \
97 Dynamics/OutputTemperature.hpp \
98 Dynamics/VerletForceIntegration.hpp
99
100THERMOSTATSOURCE = \
101 Thermostats/Berendsen.cpp \
102 Thermostats/GaussianThermostat.cpp \
103 Thermostats/Langevin.cpp \
104 Thermostats/NoseHoover.cpp \
105 Thermostats/NoThermostat.cpp \
106 Thermostats/Thermostat.cpp \
107 Thermostats/ThermoStatContainer.cpp \
108 Thermostats/Woodcock.cpp
109
110THERMOSTATHEADER = \
111 Thermostats/Berendsen.hpp \
112 Thermostats/GaussianThermostat.hpp \
113 Thermostats/Langevin.hpp \
114 Thermostats/NoseHoover.hpp \
115 Thermostats/NoThermostat.hpp \
116 Thermostats/Thermostat.hpp \
117 Thermostats/ThermoStatContainer.hpp \
118 Thermostats/Woodcock.hpp
119
120TESSELATIONSOURCE = \
121 Tesselation/boundary.cpp \
122 Tesselation/BoundaryLineSet.cpp \
123 Tesselation/BoundaryPointSet.cpp \
124 Tesselation/BoundaryPolygonSet.cpp \
125 Tesselation/BoundaryTriangleSet.cpp \
126 Tesselation/CandidateForTesselation.cpp \
127 Tesselation/ellipsoid.cpp \
128 Tesselation/tesselation.cpp \
129 Tesselation/tesselationhelpers.cpp \
130 Tesselation/triangleintersectionlist.cpp
131
132TESSELATIONHEADER = \
133 Tesselation/boundary.hpp \
134 Tesselation/BoundaryLineSet.hpp \
135 Tesselation/BoundaryMaps.hpp \
136 Tesselation/BoundaryPointSet.hpp \
137 Tesselation/BoundaryPolygonSet.hpp \
138 Tesselation/BoundaryTriangleSet.hpp \
139 Tesselation/CandidateForTesselation.hpp \
140 Tesselation/ellipsoid.hpp \
141 Tesselation/tesselation.hpp \
142 Tesselation/tesselationhelpers.hpp \
143 Tesselation/triangleintersectionlist.hpp
144
145MOLECUILDERSOURCE = \
146 ${BONDSOURCE} \
147 ${DESCRIPTORSOURCE} \
148 ${DYNAMICSSOURCE} \
149 ${THERMOSTATSOURCE} \
150 ${TESSELATIONSOURCE} \
151 Box.cpp \
152 config.cpp \
153 Formula.cpp \
154 MoleculeLeafClass.cpp \
155 moleculelist.cpp \
156 molecule.cpp \
157 molecule_geometry.cpp \
158 molecule_graph.cpp \
159 UIElements/UIFactory.cpp \
160 version.c \
161 World.cpp \
162 WorldTime.cpp
163
164MOLECUILDERHEADER = \
165 ${BONDHEADER} \
166 ${DESCRIPTORHEADER} \
167 ${DESCRIPTORIMPLHEADER} \
168 ${DYNAMICSHEADER} \
169 ${THERMOSTATHEADER} \
170 ${TESSELATIONHEADER} \
171 Box.hpp \
172 config.hpp \
173 Formula.hpp \
174 IdPool.hpp \
175 IdPool_impl.hpp \
176 MoleculeLeafClass.hpp \
177 MoleculeListClass.hpp \
178 molecule.hpp \
179 types.hpp \
180 UIElements/UIFactory.hpp \
181 version.h \
182 World.hpp \
183 World_calculations.hpp \
184 WorldTime.hpp
185
186noinst_LTLIBRARIES += libMolecuilder.la
187libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
188
189nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
190
191## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
192## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
193## will therefore be treated as if it were literally part of the target name,
194## and the variable name derived from that.
195## The file extension .cc is recognized by Automake, and makes it produce
196## rules which invoke the C++ compiler to produce a libtool object file (.lo)
197## from each source file. Note that it is not necessary to list header files
198## which are already listed elsewhere in a _HEADERS variable assignment.
199libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
200
201## Instruct libtool to include ABI version information in the generated shared
202## library file (.so). The library ABI version is defined in configure.ac, so
203## that all version information is kept in one place.
204#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
205
206## The generated configuration header is installed in its own subdirectory of
207## $(libdir). The reason for this is that the configuration information put
208## into this header file describes the target platform the installed library
209## has been built for. Thus the file must not be installed into a location
210## intended for architecture-independent files, as defined by the Filesystem
211## Hierarchy Standard (FHS).
212## The nodist_ prefix instructs Automake to not generate rules for including
213## the listed files in the distribution on 'make dist'. Files that are listed
214## in _HEADERS variables are normally included in the distribution, but the
215## configuration header file is generated at configure time and should not be
216## shipped with the source tarball.
217libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
218nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
219
220## Install the generated pkg-config file (.pc) into the expected location for
221## architecture-dependent package configuration information. Occasionally,
222## pkg-config files are also used for architecture-independent data packages,
223## in which case the correct install location would be $(datadir)/pkgconfig.
224pkgconfigdir = $(libdir)/pkgconfig
225pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
226
227
228INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
229
230libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
231noinst_LIBRARIES = libmenu.a
232bin_PROGRAMS += molecuilder joiner analyzer
233EXTRA_PROGRAMS = unity
234
235
236extrastuffdir = $(datadir)/@PACKAGE@/data
237databasedir = $(extrastuffdir)/databases
238database_DATA = \
239 ${top_srcdir}/data/databases/*.db
240
241bondtabledir = $(extrastuffdir)/bondtables
242bondtable_DATA = \
243 ${top_srcdir}/data/bondtables/*.dat
244
245moleculedir = $(extrastuffdir)/molecules
246molecule_DATA = \
247 ${top_srcdir}/data/molecules/*.pdb
248
249if CONDPYTHON
250pyexec_LTLIBRARIES += pyMoleCuilder.la
251pyMoleCuilder_la_SOURCES = \
252 cleanUp.cpp \
253 cleanUp.hpp \
254 Actions/Action_impl_python.hpp \
255 Actions/GlobalListOfActions.hpp \
256 Actions/ActionHistory.hpp \
257 Actions/pyMoleCuilder.cpp
258pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
259pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
260pyMoleCuilder_la_LIBADD = \
261 libMolecuilderUI.la \
262 $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
263 ${CodePatterns_LIBS} \
264 -l$(PYTHON_LIB)
265endif
266
267
268molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
269#molecuilder_CXXFLAGS += -DNO_CACHING
270molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
271molecuilder_SOURCES = \
272 builder.cpp \
273 builder_init.cpp \
274 builder_init.hpp \
275 cleanUp.cpp \
276 cleanUp.hpp
277molecuilder_LDADD = \
278 libMolecuilderUI.la \
279 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
280 ${CodePatterns_LIBS} \
281 $(BOOST_THREAD_LIBS) \
282 $(BOOST_PROGRAM_OPTIONS_LIBS) \
283 $(BOOST_RANDOM_LIBS) \
284 $(BOOST_SYSTEM_LIBS) \
285 $(BOOST_FILESYSTEM_LIBS)
286
287#Stuff for building the GUI using Qt
288if CONDQTGUI
289bin_PROGRAMS += molecuildergui
290molecuildergui_SOURCES = \
291 builder.cpp \
292 builder_init.cpp \
293 builder_init.hpp \
294 cleanUp.cpp \
295 cleanUp.hpp
296molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
297molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
298molecuildergui_LDADD = \
299 libMolecuilderQtUI.la \
300 libMolecuilderUI.la \
301 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
302 ${CodePatterns_LIBS} \
303 $(BOOST_THREAD_LIBS) \
304 $(BOOST_PROGRAM_OPTIONS_LIBS) \
305 $(BOOST_RANDOM_LIBS) \
306 $(BOOST_SYSTEM_LIBS) \
307 $(BOOST_FILESYSTEM_LIBS) \
308 $(GUI_LIBS)
309endif
310
311joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
312joiner_CXXFLAGS = $(AM_CPPFLAGS)
313joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
314joiner_LDADD = \
315 libMolecuilderFragmentation.la \
316 libMolecuilderHelpers.la \
317 libMolecuilderElement.la \
318 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
319 ${CodePatterns_LIBS} \
320 $(BOOST_THREAD_LIBS)
321
322analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
323analyzer_CXXFLAGS = $(AM_CPPFLAGS)
324analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
325analyzer_LDADD = \
326 libMolecuilderFragmentation.la \
327 libMolecuilderHelpers.la \
328 libMolecuilderElement.la \
329 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
330 ${CodePatterns_LIBS} \
331 $(BOOST_THREAD_LIBS)
332
333unity_SOURCES = unity.cpp
334unity_CXXFLAGS = $(AM_CPPFLAGS)
335unity_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
336unity_LDADD = \
337 ${CodePatterns_LIBS} \
338 $(BOOST_THREAD_LIBS) \
339 $(BOOST_PROGRAM_OPTIONS_LIBS) \
340 $(BOOST_RANDOM_LIBS) \
341 $(BOOST_SYSTEM_LIBS) \
342 $(BOOST_FILESYSTEM_LIBS)
343
344
345FORCE:
346$(srcdir)/.git-version: FORCE
347 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
348 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
349 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
350 mv -f .git-version-t $(srcdir)/.git-version; \
351 else \
352 rm -f .git-version-t; \
353 fi
354
355EXTRA_DIST = \
356 $(srcdir)/.git-version \
357 $(bondtable_DATA) \
358 $(database_DATA) \
359 $(molecule_DATA)
360
361$(srcdir)/version.c: $(srcdir)/.git-version
362 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
363
364
365unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
366 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
367 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
368 done; \
369 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
370 olddir=$$PWD;\
371 cd $$directory && make unity.cpp;\
372 cd $$olddir;\
373 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
374 done;\
375 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
376 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
377
378MOSTLYCLEANFILES += unity.cpp
379
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