source: src/Makefile.am@ 8de597

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 8de597 was 4c6e70, checked in by Frederik Heber <heber@…>, 13 years ago

Added functors for calculating surface area and volume of a Shape.
  • Property mode set to 100644
File size: 12.9 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 Filling/Makefile.am
16include Fragmentation/Makefile.am
17include Graph/Makefile.am
18include Helpers/Makefile.am
19include LinkedCell/Makefile.am
20include Parser/Makefile.am
21include RandomNumbers/Makefile.am
22include Shapes/Makefile.am
23include UIElements/Makefile.am
24
25AM_LDFLAGS = -ldl ${BOOST_LDFLAGS}
26AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
27
28BONDSOURCE = \
29 Bond/bond.cpp \
30 Bond/bond_observable.cpp \
31 Bond/GraphEdge.cpp
32
33BONDHEADER = \
34 Bond/bond.hpp \
35 Bond/bond_observable.hpp \
36 Bond/GraphEdge.hpp
37
38DESCRIPTORSOURCE = \
39 Descriptors/AtomDescriptor.cpp \
40 Descriptors/AtomIdDescriptor.cpp \
41 Descriptors/AtomOfMoleculeDescriptor.cpp \
42 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
43 Descriptors/AtomSelectionDescriptor.cpp \
44 Descriptors/AtomShapeDescriptor.cpp \
45 Descriptors/AtomTypeDescriptor.cpp \
46 Descriptors/AtomsWithinDistanceOfDescriptor.cpp \
47 Descriptors/MoleculeDescriptor.cpp \
48 Descriptors/MoleculeFormulaDescriptor.cpp \
49 Descriptors/MoleculeIdDescriptor.cpp \
50 Descriptors/MoleculeNameDescriptor.cpp \
51 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
52 Descriptors/MoleculeOrderDescriptor.cpp \
53 Descriptors/MoleculePtrDescriptor.cpp \
54 Descriptors/MoleculeSelectionDescriptor.cpp
55
56
57DESCRIPTORHEADER = \
58 Descriptors/AtomDescriptor.hpp \
59 Descriptors/AtomIdDescriptor.hpp \
60 Descriptors/AtomOfMoleculeDescriptor.hpp \
61 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
62 Descriptors/AtomSelectionDescriptor.hpp \
63 Descriptors/AtomShapeDescriptor.hpp \
64 Descriptors/AtomTypeDescriptor.hpp \
65 Descriptors/AtomsWithinDistanceOfDescriptor.hpp \
66 Descriptors/DescriptorBase.hpp \
67 Descriptors/MoleculeDescriptor.hpp \
68 Descriptors/MoleculeFormulaDescriptor.hpp \
69 Descriptors/MoleculeIdDescriptor.hpp \
70 Descriptors/MoleculeNameDescriptor.hpp \
71 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
72 Descriptors/MoleculeOrderDescriptor.hpp \
73 Descriptors/MoleculePtrDescriptor.hpp \
74 Descriptors/MoleculeSelectionDescriptor.hpp \
75 Descriptors/SelectiveIterator.hpp
76
77DESCRIPTORIMPLHEADER = \
78 Descriptors/AtomDescriptor_impl.hpp \
79 Descriptors/AtomIdDescriptor_impl.hpp \
80 Descriptors/AtomOfMoleculeDescriptor_impl.hpp \
81 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
82 Descriptors/AtomSelectionDescriptor_impl.hpp \
83 Descriptors/AtomShapeDescriptor_impl.hpp \
84 Descriptors/AtomTypeDescriptor_impl.hpp \
85 Descriptors/AtomsWithinDistanceOfDescriptor_impl.hpp \
86 Descriptors/DescriptorBase_impl.hpp \
87 Descriptors/MoleculeDescriptor_impl.hpp \
88 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
89 Descriptors/MoleculeIdDescriptor_impl.hpp \
90 Descriptors/MoleculeNameDescriptor_impl.hpp \
91 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
92 Descriptors/MoleculeOrderDescriptor_impl.hpp \
93 Descriptors/MoleculePtrDescriptor_impl.hpp \
94 Descriptors/MoleculeSelectionDescriptor_impl.hpp \
95 Descriptors/SelectiveIterator_impl.hpp
96
97DYNAMICSSOURCE = \
98 Dynamics/MinimiseConstrainedPotential.cpp
99
100DYNAMICSHEADER = \
101 Dynamics/LinearInterpolationBetweenSteps.hpp \
102 Dynamics/MinimiseConstrainedPotential.hpp \
103 Dynamics/OutputTemperature.hpp \
104 Dynamics/VerletForceIntegration.hpp
105
106THERMOSTATSOURCE = \
107 Thermostats/Berendsen.cpp \
108 Thermostats/GaussianThermostat.cpp \
109 Thermostats/Langevin.cpp \
110 Thermostats/NoseHoover.cpp \
111 Thermostats/NoThermostat.cpp \
112 Thermostats/Thermostat.cpp \
113 Thermostats/ThermoStatContainer.cpp \
114 Thermostats/Woodcock.cpp
115
116THERMOSTATHEADER = \
117 Thermostats/Berendsen.hpp \
118 Thermostats/GaussianThermostat.hpp \
119 Thermostats/Langevin.hpp \
120 Thermostats/NoseHoover.hpp \
121 Thermostats/NoThermostat.hpp \
122 Thermostats/Thermostat.hpp \
123 Thermostats/ThermoStatContainer.hpp \
124 Thermostats/Woodcock.hpp
125
126TESSELATIONSOURCE = \
127 Tesselation/ApproximateShapeArea.cpp \
128 Tesselation/ApproximateShapeVolume.cpp \
129 Tesselation/boundary.cpp \
130 Tesselation/BoundaryLineSet.cpp \
131 Tesselation/BoundaryPointSet.cpp \
132 Tesselation/BoundaryPolygonSet.cpp \
133 Tesselation/BoundaryTriangleSet.cpp \
134 Tesselation/CandidateForTesselation.cpp \
135 Tesselation/ellipsoid.cpp \
136 Tesselation/tesselation.cpp \
137 Tesselation/tesselationhelpers.cpp \
138 Tesselation/triangleintersectionlist.cpp
139
140TESSELATIONHEADER = \
141 Tesselation/ApproximateShapeArea.hpp \
142 Tesselation/ApproximateShapeVolume.hpp \
143 Tesselation/boundary.hpp \
144 Tesselation/BoundaryLineSet.hpp \
145 Tesselation/BoundaryMaps.hpp \
146 Tesselation/BoundaryPointSet.hpp \
147 Tesselation/BoundaryPolygonSet.hpp \
148 Tesselation/BoundaryTriangleSet.hpp \
149 Tesselation/CandidateForTesselation.hpp \
150 Tesselation/ellipsoid.hpp \
151 Tesselation/tesselation.hpp \
152 Tesselation/tesselationhelpers.hpp \
153 Tesselation/triangleintersectionlist.hpp
154
155MOLECUILDERSOURCE = \
156 ${BONDSOURCE} \
157 ${DESCRIPTORSOURCE} \
158 ${DYNAMICSSOURCE} \
159 ${THERMOSTATSOURCE} \
160 ${TESSELATIONSOURCE} \
161 AtomIdSet.cpp \
162 Box.cpp \
163 Box_BoundaryConditions.cpp \
164 config.cpp \
165 Formula.cpp \
166 MoleculeLeafClass.cpp \
167 moleculelist.cpp \
168 molecule.cpp \
169 molecule_geometry.cpp \
170 molecule_graph.cpp \
171 UIElements/UIFactory.cpp \
172 version.c \
173 World.cpp \
174 WorldTime.cpp
175
176MOLECUILDERHEADER = \
177 ${BONDHEADER} \
178 ${DESCRIPTORHEADER} \
179 ${DESCRIPTORIMPLHEADER} \
180 ${DYNAMICSHEADER} \
181 ${THERMOSTATHEADER} \
182 ${TESSELATIONHEADER} \
183 AtomIdSet.hpp \
184 Box.hpp \
185 Box_BoundaryConditions.hpp \
186 config.hpp \
187 Formula.hpp \
188 IdPool.hpp \
189 IdPool_impl.hpp \
190 IdPool_policy.hpp \
191 MoleculeLeafClass.hpp \
192 MoleculeListClass.hpp \
193 molecule.hpp \
194 types.hpp \
195 UIElements/UIFactory.hpp \
196 version.h \
197 World.hpp \
198 World_calculations.hpp \
199 WorldTime.hpp
200
201noinst_LTLIBRARIES += libMolecuilder.la
202libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
203
204nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
205
206## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
207## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
208## will therefore be treated as if it were literally part of the target name,
209## and the variable name derived from that.
210## The file extension .cc is recognized by Automake, and makes it produce
211## rules which invoke the C++ compiler to produce a libtool object file (.lo)
212## from each source file. Note that it is not necessary to list header files
213## which are already listed elsewhere in a _HEADERS variable assignment.
214libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
215
216## Instruct libtool to include ABI version information in the generated shared
217## library file (.so). The library ABI version is defined in configure.ac, so
218## that all version information is kept in one place.
219#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
220
221## The generated configuration header is installed in its own subdirectory of
222## $(libdir). The reason for this is that the configuration information put
223## into this header file describes the target platform the installed library
224## has been built for. Thus the file must not be installed into a location
225## intended for architecture-independent files, as defined by the Filesystem
226## Hierarchy Standard (FHS).
227## The nodist_ prefix instructs Automake to not generate rules for including
228## the listed files in the distribution on 'make dist'. Files that are listed
229## in _HEADERS variables are normally included in the distribution, but the
230## configuration header file is generated at configure time and should not be
231## shipped with the source tarball.
232libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
233nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
234
235## Install the generated pkg-config file (.pc) into the expected location for
236## architecture-dependent package configuration information. Occasionally,
237## pkg-config files are also used for architecture-independent data packages,
238## in which case the correct install location would be $(datadir)/pkgconfig.
239pkgconfigdir = $(libdir)/pkgconfig
240pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
241
242
243INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
244
245libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
246noinst_LIBRARIES = libmenu.a
247bin_PROGRAMS += molecuilder joiner analyzer
248EXTRA_PROGRAMS = unity
249
250
251extrastuffdir = $(datadir)/@PACKAGE@/data
252databasedir = $(extrastuffdir)/databases
253database_DATA = \
254 ${top_srcdir}/data/databases/*.db
255
256bondtabledir = $(extrastuffdir)/bondtables
257bondtable_DATA = \
258 ${top_srcdir}/data/bondtables/*.dat
259
260moleculedir = $(extrastuffdir)/molecules
261molecule_DATA = \
262 ${top_srcdir}/data/molecules/*.pdb
263
264if CONDPYTHON
265pyexec_LTLIBRARIES += pyMoleCuilder.la
266pyMoleCuilder_la_SOURCES = \
267 cleanUp.cpp \
268 cleanUp.hpp \
269 Actions/Action_impl_python.hpp \
270 Actions/GlobalListOfActions.hpp \
271 Actions/ActionHistory.hpp \
272 Actions/pyMoleCuilder.cpp
273pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
274pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
275pyMoleCuilder_la_LIBADD = \
276 libMolecuilderUI.la \
277 $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
278 ${CodePatterns_LIBS} \
279 -l$(PYTHON_LIB)
280endif
281
282
283molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
284#molecuilder_CXXFLAGS += -DNO_CACHING
285molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
286molecuilder_SOURCES = \
287 builder.cpp \
288 builder_init.cpp \
289 builder_init.hpp \
290 cleanUp.cpp \
291 cleanUp.hpp
292molecuilder_LDADD = \
293 libMolecuilderUI.la \
294 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
295 ${CodePatterns_LIBS} \
296 $(BOOST_THREAD_LIBS) \
297 $(BOOST_PROGRAM_OPTIONS_LIBS) \
298 $(BOOST_RANDOM_LIBS) \
299 $(BOOST_SYSTEM_LIBS) \
300 $(BOOST_FILESYSTEM_LIBS)
301
302#Stuff for building the GUI using Qt
303if CONDQTGUI
304bin_PROGRAMS += molecuildergui
305molecuildergui_SOURCES = \
306 builder.cpp \
307 builder_init.cpp \
308 builder_init.hpp \
309 cleanUp.cpp \
310 cleanUp.hpp
311molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
312molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
313molecuildergui_LDADD = \
314 libMolecuilderQtUI.la \
315 libMolecuilderUI.la \
316 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
317 ${CodePatterns_LIBS} \
318 $(BOOST_THREAD_LIBS) \
319 $(BOOST_PROGRAM_OPTIONS_LIBS) \
320 $(BOOST_RANDOM_LIBS) \
321 $(BOOST_SYSTEM_LIBS) \
322 $(BOOST_FILESYSTEM_LIBS) \
323 $(GUI_LIBS)
324endif
325
326joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
327joiner_CXXFLAGS = $(AM_CPPFLAGS)
328joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
329joiner_LDADD = \
330 libMolecuilderFragmentation.la \
331 libMolecuilderHelpers.la \
332 libMolecuilderElement.la \
333 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
334 ${CodePatterns_LIBS} \
335 $(BOOST_THREAD_LIBS)
336
337analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
338analyzer_CXXFLAGS = $(AM_CPPFLAGS)
339analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
340analyzer_LDADD = \
341 libMolecuilderFragmentation.la \
342 libMolecuilderHelpers.la \
343 libMolecuilderElement.la \
344 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
345 ${CodePatterns_LIBS} \
346 $(BOOST_THREAD_LIBS)
347
348unity_SOURCES = unity.cpp
349unity_CXXFLAGS = $(AM_CPPFLAGS)
350unity_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
351unity_LDADD = \
352 ${CodePatterns_LIBS} \
353 $(BOOST_THREAD_LIBS) \
354 $(BOOST_PROGRAM_OPTIONS_LIBS) \
355 $(BOOST_RANDOM_LIBS) \
356 $(BOOST_SYSTEM_LIBS) \
357 $(BOOST_FILESYSTEM_LIBS)
358
359
360FORCE:
361$(srcdir)/.git-version: FORCE
362 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
363 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
364 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
365 mv -f .git-version-t $(srcdir)/.git-version; \
366 else \
367 rm -f .git-version-t; \
368 fi
369
370EXTRA_DIST = \
371 $(srcdir)/.git-version \
372 $(bondtable_DATA) \
373 $(database_DATA) \
374 $(molecule_DATA)
375
376$(srcdir)/version.c: $(srcdir)/.git-version
377 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
378
379
380unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
381 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
382 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
383 done; \
384 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
385 olddir=$$PWD;\
386 cd $$directory && make unity.cpp;\
387 cd $$olddir;\
388 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
389 done;\
390 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
391 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
392
393MOSTLYCLEANFILES += unity.cpp
394
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