source: src/Makefile.am@ a5b2b6b

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 a5b2b6b was 7afb77, checked in by Frederik Heber <heber@…>, 13 years ago

Added AtomsWithinDistanceOf descriptor.

  • this is basically just a nice interface to LinkedCell_View which is used internally to find the atoms.
  • Property mode set to 100644
File size: 12.5 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/AtomsWithinDistanceOfDescriptor.cpp \
44 Descriptors/MoleculeDescriptor.cpp \
45 Descriptors/MoleculeFormulaDescriptor.cpp \
46 Descriptors/MoleculeIdDescriptor.cpp \
47 Descriptors/MoleculeNameDescriptor.cpp \
48 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
49 Descriptors/MoleculeOrderDescriptor.cpp \
50 Descriptors/MoleculePtrDescriptor.cpp \
51 Descriptors/MoleculeSelectionDescriptor.cpp
52
53
54DESCRIPTORHEADER = \
55 Descriptors/AtomDescriptor.hpp \
56 Descriptors/AtomIdDescriptor.hpp \
57 Descriptors/AtomOfMoleculeDescriptor.hpp \
58 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
59 Descriptors/AtomSelectionDescriptor.hpp \
60 Descriptors/AtomShapeDescriptor.hpp \
61 Descriptors/AtomTypeDescriptor.hpp \
62 Descriptors/AtomsWithinDistanceOfDescriptor.hpp \
63 Descriptors/DescriptorBase.hpp \
64 Descriptors/MoleculeDescriptor.hpp \
65 Descriptors/MoleculeFormulaDescriptor.hpp \
66 Descriptors/MoleculeIdDescriptor.hpp \
67 Descriptors/MoleculeNameDescriptor.hpp \
68 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
69 Descriptors/MoleculeOrderDescriptor.hpp \
70 Descriptors/MoleculePtrDescriptor.hpp \
71 Descriptors/MoleculeSelectionDescriptor.hpp \
72 Descriptors/SelectiveIterator.hpp
73
74DESCRIPTORIMPLHEADER = \
75 Descriptors/AtomDescriptor_impl.hpp \
76 Descriptors/AtomIdDescriptor_impl.hpp \
77 Descriptors/AtomOfMoleculeDescriptor_impl.hpp \
78 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
79 Descriptors/AtomSelectionDescriptor_impl.hpp \
80 Descriptors/AtomShapeDescriptor_impl.hpp \
81 Descriptors/AtomTypeDescriptor_impl.hpp \
82 Descriptors/AtomsWithinDistanceOfDescriptor_impl.hpp \
83 Descriptors/DescriptorBase_impl.hpp \
84 Descriptors/MoleculeDescriptor_impl.hpp \
85 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
86 Descriptors/MoleculeIdDescriptor_impl.hpp \
87 Descriptors/MoleculeNameDescriptor_impl.hpp \
88 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
89 Descriptors/MoleculeOrderDescriptor_impl.hpp \
90 Descriptors/MoleculePtrDescriptor_impl.hpp \
91 Descriptors/MoleculeSelectionDescriptor_impl.hpp \
92 Descriptors/SelectiveIterator_impl.hpp
93
94DYNAMICSSOURCE = \
95 Dynamics/MinimiseConstrainedPotential.cpp
96
97DYNAMICSHEADER = \
98 Dynamics/LinearInterpolationBetweenSteps.hpp \
99 Dynamics/MinimiseConstrainedPotential.hpp \
100 Dynamics/OutputTemperature.hpp \
101 Dynamics/VerletForceIntegration.hpp
102
103THERMOSTATSOURCE = \
104 Thermostats/Berendsen.cpp \
105 Thermostats/GaussianThermostat.cpp \
106 Thermostats/Langevin.cpp \
107 Thermostats/NoseHoover.cpp \
108 Thermostats/NoThermostat.cpp \
109 Thermostats/Thermostat.cpp \
110 Thermostats/ThermoStatContainer.cpp \
111 Thermostats/Woodcock.cpp
112
113THERMOSTATHEADER = \
114 Thermostats/Berendsen.hpp \
115 Thermostats/GaussianThermostat.hpp \
116 Thermostats/Langevin.hpp \
117 Thermostats/NoseHoover.hpp \
118 Thermostats/NoThermostat.hpp \
119 Thermostats/Thermostat.hpp \
120 Thermostats/ThermoStatContainer.hpp \
121 Thermostats/Woodcock.hpp
122
123TESSELATIONSOURCE = \
124 Tesselation/boundary.cpp \
125 Tesselation/BoundaryLineSet.cpp \
126 Tesselation/BoundaryPointSet.cpp \
127 Tesselation/BoundaryPolygonSet.cpp \
128 Tesselation/BoundaryTriangleSet.cpp \
129 Tesselation/CandidateForTesselation.cpp \
130 Tesselation/ellipsoid.cpp \
131 Tesselation/tesselation.cpp \
132 Tesselation/tesselationhelpers.cpp \
133 Tesselation/triangleintersectionlist.cpp
134
135TESSELATIONHEADER = \
136 Tesselation/boundary.hpp \
137 Tesselation/BoundaryLineSet.hpp \
138 Tesselation/BoundaryMaps.hpp \
139 Tesselation/BoundaryPointSet.hpp \
140 Tesselation/BoundaryPolygonSet.hpp \
141 Tesselation/BoundaryTriangleSet.hpp \
142 Tesselation/CandidateForTesselation.hpp \
143 Tesselation/ellipsoid.hpp \
144 Tesselation/tesselation.hpp \
145 Tesselation/tesselationhelpers.hpp \
146 Tesselation/triangleintersectionlist.hpp
147
148MOLECUILDERSOURCE = \
149 ${BONDSOURCE} \
150 ${DESCRIPTORSOURCE} \
151 ${DYNAMICSSOURCE} \
152 ${THERMOSTATSOURCE} \
153 ${TESSELATIONSOURCE} \
154 Box.cpp \
155 config.cpp \
156 Formula.cpp \
157 MoleculeLeafClass.cpp \
158 moleculelist.cpp \
159 molecule.cpp \
160 molecule_geometry.cpp \
161 molecule_graph.cpp \
162 UIElements/UIFactory.cpp \
163 version.c \
164 World.cpp \
165 WorldTime.cpp
166
167MOLECUILDERHEADER = \
168 ${BONDHEADER} \
169 ${DESCRIPTORHEADER} \
170 ${DESCRIPTORIMPLHEADER} \
171 ${DYNAMICSHEADER} \
172 ${THERMOSTATHEADER} \
173 ${TESSELATIONHEADER} \
174 Box.hpp \
175 config.hpp \
176 Formula.hpp \
177 IdPool.hpp \
178 IdPool_impl.hpp \
179 MoleculeLeafClass.hpp \
180 MoleculeListClass.hpp \
181 molecule.hpp \
182 types.hpp \
183 UIElements/UIFactory.hpp \
184 version.h \
185 World.hpp \
186 World_calculations.hpp \
187 WorldTime.hpp
188
189noinst_LTLIBRARIES += libMolecuilder.la
190libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
191
192nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
193
194## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
195## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
196## will therefore be treated as if it were literally part of the target name,
197## and the variable name derived from that.
198## The file extension .cc is recognized by Automake, and makes it produce
199## rules which invoke the C++ compiler to produce a libtool object file (.lo)
200## from each source file. Note that it is not necessary to list header files
201## which are already listed elsewhere in a _HEADERS variable assignment.
202libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
203
204## Instruct libtool to include ABI version information in the generated shared
205## library file (.so). The library ABI version is defined in configure.ac, so
206## that all version information is kept in one place.
207#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
208
209## The generated configuration header is installed in its own subdirectory of
210## $(libdir). The reason for this is that the configuration information put
211## into this header file describes the target platform the installed library
212## has been built for. Thus the file must not be installed into a location
213## intended for architecture-independent files, as defined by the Filesystem
214## Hierarchy Standard (FHS).
215## The nodist_ prefix instructs Automake to not generate rules for including
216## the listed files in the distribution on 'make dist'. Files that are listed
217## in _HEADERS variables are normally included in the distribution, but the
218## configuration header file is generated at configure time and should not be
219## shipped with the source tarball.
220libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
221nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
222
223## Install the generated pkg-config file (.pc) into the expected location for
224## architecture-dependent package configuration information. Occasionally,
225## pkg-config files are also used for architecture-independent data packages,
226## in which case the correct install location would be $(datadir)/pkgconfig.
227pkgconfigdir = $(libdir)/pkgconfig
228pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
229
230
231INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
232
233libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
234noinst_LIBRARIES = libmenu.a
235bin_PROGRAMS += molecuilder joiner analyzer
236EXTRA_PROGRAMS = unity
237
238
239extrastuffdir = $(datadir)/@PACKAGE@/data
240databasedir = $(extrastuffdir)/databases
241database_DATA = \
242 ${top_srcdir}/data/databases/*.db
243
244bondtabledir = $(extrastuffdir)/bondtables
245bondtable_DATA = \
246 ${top_srcdir}/data/bondtables/*.dat
247
248moleculedir = $(extrastuffdir)/molecules
249molecule_DATA = \
250 ${top_srcdir}/data/molecules/*.pdb
251
252if CONDPYTHON
253pyexec_LTLIBRARIES += pyMoleCuilder.la
254pyMoleCuilder_la_SOURCES = \
255 cleanUp.cpp \
256 cleanUp.hpp \
257 Actions/Action_impl_python.hpp \
258 Actions/GlobalListOfActions.hpp \
259 Actions/ActionHistory.hpp \
260 Actions/pyMoleCuilder.cpp
261pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
262pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
263pyMoleCuilder_la_LIBADD = \
264 libMolecuilderUI.la \
265 $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
266 ${CodePatterns_LIBS} \
267 -l$(PYTHON_LIB)
268endif
269
270
271molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
272#molecuilder_CXXFLAGS += -DNO_CACHING
273molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
274molecuilder_SOURCES = \
275 builder.cpp \
276 builder_init.cpp \
277 builder_init.hpp \
278 cleanUp.cpp \
279 cleanUp.hpp
280molecuilder_LDADD = \
281 libMolecuilderUI.la \
282 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
283 ${CodePatterns_LIBS} \
284 $(BOOST_THREAD_LIBS) \
285 $(BOOST_PROGRAM_OPTIONS_LIBS) \
286 $(BOOST_RANDOM_LIBS) \
287 $(BOOST_SYSTEM_LIBS) \
288 $(BOOST_FILESYSTEM_LIBS)
289
290#Stuff for building the GUI using Qt
291if CONDQTGUI
292bin_PROGRAMS += molecuildergui
293molecuildergui_SOURCES = \
294 builder.cpp \
295 builder_init.cpp \
296 builder_init.hpp \
297 cleanUp.cpp \
298 cleanUp.hpp
299molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
300molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
301molecuildergui_LDADD = \
302 libMolecuilderQtUI.la \
303 libMolecuilderUI.la \
304 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
305 ${CodePatterns_LIBS} \
306 $(BOOST_THREAD_LIBS) \
307 $(BOOST_PROGRAM_OPTIONS_LIBS) \
308 $(BOOST_RANDOM_LIBS) \
309 $(BOOST_SYSTEM_LIBS) \
310 $(BOOST_FILESYSTEM_LIBS) \
311 $(GUI_LIBS)
312endif
313
314joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
315joiner_CXXFLAGS = $(AM_CPPFLAGS)
316joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
317joiner_LDADD = \
318 libMolecuilderFragmentation.la \
319 libMolecuilderHelpers.la \
320 libMolecuilderElement.la \
321 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
322 ${CodePatterns_LIBS} \
323 $(BOOST_THREAD_LIBS)
324
325analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
326analyzer_CXXFLAGS = $(AM_CPPFLAGS)
327analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
328analyzer_LDADD = \
329 libMolecuilderFragmentation.la \
330 libMolecuilderHelpers.la \
331 libMolecuilderElement.la \
332 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
333 ${CodePatterns_LIBS} \
334 $(BOOST_THREAD_LIBS)
335
336unity_SOURCES = unity.cpp
337unity_CXXFLAGS = $(AM_CPPFLAGS)
338unity_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
339unity_LDADD = \
340 ${CodePatterns_LIBS} \
341 $(BOOST_THREAD_LIBS) \
342 $(BOOST_PROGRAM_OPTIONS_LIBS) \
343 $(BOOST_RANDOM_LIBS) \
344 $(BOOST_SYSTEM_LIBS) \
345 $(BOOST_FILESYSTEM_LIBS)
346
347
348FORCE:
349$(srcdir)/.git-version: FORCE
350 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
351 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
352 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
353 mv -f .git-version-t $(srcdir)/.git-version; \
354 else \
355 rm -f .git-version-t; \
356 fi
357
358EXTRA_DIST = \
359 $(srcdir)/.git-version \
360 $(bondtable_DATA) \
361 $(database_DATA) \
362 $(molecule_DATA)
363
364$(srcdir)/version.c: $(srcdir)/.git-version
365 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
366
367
368unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
369 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
370 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
371 done; \
372 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
373 olddir=$$PWD;\
374 cd $$directory && make unity.cpp;\
375 cd $$olddir;\
376 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
377 done;\
378 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
379 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
380
381MOSTLYCLEANFILES += unity.cpp
382
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