source: src/Makefile.am@ 2a0271

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 2a0271 was dd067a, checked in by Frederik Heber <heber@…>, 13 years ago

Add new namespace BoundaryConditions with class BCContainer.

  • BCContainer is a convenience wrapper for the enumeration of the boundary conditions that allows easy setting/getting via strings.
  • 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 Box_BoundaryConditions.cpp \
158 config.cpp \
159 Formula.cpp \
160 MoleculeLeafClass.cpp \
161 moleculelist.cpp \
162 molecule.cpp \
163 molecule_geometry.cpp \
164 molecule_graph.cpp \
165 UIElements/UIFactory.cpp \
166 version.c \
167 World.cpp \
168 WorldTime.cpp
169
170MOLECUILDERHEADER = \
171 ${BONDHEADER} \
172 ${DESCRIPTORHEADER} \
173 ${DESCRIPTORIMPLHEADER} \
174 ${DYNAMICSHEADER} \
175 ${THERMOSTATHEADER} \
176 ${TESSELATIONHEADER} \
177 Box.hpp \
178 Box_BoundaryConditions.hpp \
179 config.hpp \
180 Formula.hpp \
181 IdPool.hpp \
182 IdPool_impl.hpp \
183 MoleculeLeafClass.hpp \
184 MoleculeListClass.hpp \
185 molecule.hpp \
186 types.hpp \
187 UIElements/UIFactory.hpp \
188 version.h \
189 World.hpp \
190 World_calculations.hpp \
191 WorldTime.hpp
192
193noinst_LTLIBRARIES += libMolecuilder.la
194libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
195
196nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
197
198## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
199## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
200## will therefore be treated as if it were literally part of the target name,
201## and the variable name derived from that.
202## The file extension .cc is recognized by Automake, and makes it produce
203## rules which invoke the C++ compiler to produce a libtool object file (.lo)
204## from each source file. Note that it is not necessary to list header files
205## which are already listed elsewhere in a _HEADERS variable assignment.
206libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
207
208## Instruct libtool to include ABI version information in the generated shared
209## library file (.so). The library ABI version is defined in configure.ac, so
210## that all version information is kept in one place.
211#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
212
213## The generated configuration header is installed in its own subdirectory of
214## $(libdir). The reason for this is that the configuration information put
215## into this header file describes the target platform the installed library
216## has been built for. Thus the file must not be installed into a location
217## intended for architecture-independent files, as defined by the Filesystem
218## Hierarchy Standard (FHS).
219## The nodist_ prefix instructs Automake to not generate rules for including
220## the listed files in the distribution on 'make dist'. Files that are listed
221## in _HEADERS variables are normally included in the distribution, but the
222## configuration header file is generated at configure time and should not be
223## shipped with the source tarball.
224libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
225nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
226
227## Install the generated pkg-config file (.pc) into the expected location for
228## architecture-dependent package configuration information. Occasionally,
229## pkg-config files are also used for architecture-independent data packages,
230## in which case the correct install location would be $(datadir)/pkgconfig.
231pkgconfigdir = $(libdir)/pkgconfig
232pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
233
234
235INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
236
237libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
238noinst_LIBRARIES = libmenu.a
239bin_PROGRAMS += molecuilder joiner analyzer
240EXTRA_PROGRAMS = unity
241
242
243extrastuffdir = $(datadir)/@PACKAGE@/data
244databasedir = $(extrastuffdir)/databases
245database_DATA = \
246 ${top_srcdir}/data/databases/*.db
247
248bondtabledir = $(extrastuffdir)/bondtables
249bondtable_DATA = \
250 ${top_srcdir}/data/bondtables/*.dat
251
252moleculedir = $(extrastuffdir)/molecules
253molecule_DATA = \
254 ${top_srcdir}/data/molecules/*.pdb
255
256if CONDPYTHON
257pyexec_LTLIBRARIES += pyMoleCuilder.la
258pyMoleCuilder_la_SOURCES = \
259 cleanUp.cpp \
260 cleanUp.hpp \
261 Actions/Action_impl_python.hpp \
262 Actions/GlobalListOfActions.hpp \
263 Actions/ActionHistory.hpp \
264 Actions/pyMoleCuilder.cpp
265pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
266pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
267pyMoleCuilder_la_LIBADD = \
268 libMolecuilderUI.la \
269 $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
270 ${CodePatterns_LIBS} \
271 -l$(PYTHON_LIB)
272endif
273
274
275molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
276#molecuilder_CXXFLAGS += -DNO_CACHING
277molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
278molecuilder_SOURCES = \
279 builder.cpp \
280 builder_init.cpp \
281 builder_init.hpp \
282 cleanUp.cpp \
283 cleanUp.hpp
284molecuilder_LDADD = \
285 libMolecuilderUI.la \
286 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
287 ${CodePatterns_LIBS} \
288 $(BOOST_THREAD_LIBS) \
289 $(BOOST_PROGRAM_OPTIONS_LIBS) \
290 $(BOOST_RANDOM_LIBS) \
291 $(BOOST_SYSTEM_LIBS) \
292 $(BOOST_FILESYSTEM_LIBS)
293
294#Stuff for building the GUI using Qt
295if CONDQTGUI
296bin_PROGRAMS += molecuildergui
297molecuildergui_SOURCES = \
298 builder.cpp \
299 builder_init.cpp \
300 builder_init.hpp \
301 cleanUp.cpp \
302 cleanUp.hpp
303molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
304molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
305molecuildergui_LDADD = \
306 libMolecuilderQtUI.la \
307 libMolecuilderUI.la \
308 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
309 ${CodePatterns_LIBS} \
310 $(BOOST_THREAD_LIBS) \
311 $(BOOST_PROGRAM_OPTIONS_LIBS) \
312 $(BOOST_RANDOM_LIBS) \
313 $(BOOST_SYSTEM_LIBS) \
314 $(BOOST_FILESYSTEM_LIBS) \
315 $(GUI_LIBS)
316endif
317
318joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
319joiner_CXXFLAGS = $(AM_CPPFLAGS)
320joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
321joiner_LDADD = \
322 libMolecuilderFragmentation.la \
323 libMolecuilderHelpers.la \
324 libMolecuilderElement.la \
325 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
326 ${CodePatterns_LIBS} \
327 $(BOOST_THREAD_LIBS)
328
329analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
330analyzer_CXXFLAGS = $(AM_CPPFLAGS)
331analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
332analyzer_LDADD = \
333 libMolecuilderFragmentation.la \
334 libMolecuilderHelpers.la \
335 libMolecuilderElement.la \
336 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
337 ${CodePatterns_LIBS} \
338 $(BOOST_THREAD_LIBS)
339
340unity_SOURCES = unity.cpp
341unity_CXXFLAGS = $(AM_CPPFLAGS)
342unity_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
343unity_LDADD = \
344 ${CodePatterns_LIBS} \
345 $(BOOST_THREAD_LIBS) \
346 $(BOOST_PROGRAM_OPTIONS_LIBS) \
347 $(BOOST_RANDOM_LIBS) \
348 $(BOOST_SYSTEM_LIBS) \
349 $(BOOST_FILESYSTEM_LIBS)
350
351
352FORCE:
353$(srcdir)/.git-version: FORCE
354 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
355 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
356 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
357 mv -f .git-version-t $(srcdir)/.git-version; \
358 else \
359 rm -f .git-version-t; \
360 fi
361
362EXTRA_DIST = \
363 $(srcdir)/.git-version \
364 $(bondtable_DATA) \
365 $(database_DATA) \
366 $(molecule_DATA)
367
368$(srcdir)/version.c: $(srcdir)/.git-version
369 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
370
371
372unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
373 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
374 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
375 done; \
376 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
377 olddir=$$PWD;\
378 cd $$directory && make unity.cpp;\
379 cd $$olddir;\
380 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
381 done;\
382 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
383 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
384
385MOSTLYCLEANFILES += unity.cpp
386
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