source: src/Fragmentation/Makefile.am@ 3d70e3

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 3d70e3 was a1d1dd, checked in by Frederik Heber <heber@…>, 11 years ago

Added SaturationDistanceMaximizer to determine best alphas for SaturatedBonds.

  • also added simple unit tests that ascertains that with just degree 1 bonds nothing happens.
  • Property mode set to 100644
File size: 6.2 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4FRAGMENTATIONSOURCE = \
5 Fragmentation/Exporters/ExportGraph_ToFiles.cpp \
6 Fragmentation/Exporters/ExportGraph_ToJobs.cpp \
7 Fragmentation/Exporters/ExportGraph.cpp \
8 Fragmentation/Exporters/HydrogenPool.cpp \
9 Fragmentation/Exporters/SaturatedBond.cpp \
10 Fragmentation/Exporters/SaturatedFragment.cpp \
11 Fragmentation/Exporters/SaturationDistanceMaximizer.cpp \
12 Fragmentation/Homology/FragmentEdge.cpp \
13 Fragmentation/Homology/FragmentNode.cpp \
14 Fragmentation/Homology/HomologyContainer.cpp \
15 Fragmentation/Homology/HomologyGraph.cpp \
16 Fragmentation/AdaptivityMap.cpp \
17 Fragmentation/BondsPerShortestPath.cpp \
18 Fragmentation/EnergyMatrix.cpp \
19 Fragmentation/ForceMatrix.cpp \
20 Fragmentation/Fragmentation.cpp \
21 Fragmentation/fragmentation_helpers.cpp \
22 Fragmentation/Graph.cpp \
23 Fragmentation/helpers.cpp \
24 Fragmentation/HessianMatrix.cpp \
25 Fragmentation/Interfragmenter.cpp \
26 Fragmentation/KeySet.cpp \
27 Fragmentation/MatrixContainer.cpp \
28 Fragmentation/PowerSetGenerator.cpp \
29 Fragmentation/SortIndex.cpp \
30 Fragmentation/UniqueFragments.cpp
31
32FRAGMENTATIONHEADER = \
33 Fragmentation/Exporters/ExportGraph_ToFiles.hpp \
34 Fragmentation/Exporters/ExportGraph_ToJobs.hpp \
35 Fragmentation/Exporters/ExportGraph.hpp \
36 Fragmentation/Exporters/HydrogenPool.hpp \
37 Fragmentation/Exporters/SaturatedBond.hpp \
38 Fragmentation/Exporters/SaturatedFragment.hpp \
39 Fragmentation/Exporters/SaturationDistanceMaximizer.hpp \
40 Fragmentation/Homology/FragmentEdge.hpp \
41 Fragmentation/Homology/FragmentNode.hpp \
42 Fragmentation/Homology/HomologyContainer.hpp \
43 Fragmentation/Homology/HomologyGraph.hpp \
44 Fragmentation/AdaptivityMap.hpp \
45 Fragmentation/AtomMask.hpp \
46 Fragmentation/BondsPerShortestPath.hpp \
47 Fragmentation/defs.hpp \
48 Fragmentation/EnergyMatrix.hpp \
49 Fragmentation/ForceMatrix.hpp \
50 Fragmentation/Fragmentation.hpp \
51 Fragmentation/fragmentation_helpers.hpp \
52 Fragmentation/Graph.hpp \
53 Fragmentation/helpers.cpp \
54 Fragmentation/helpers.hpp \
55 Fragmentation/HessianMatrix.hpp \
56 Fragmentation/HydrogenSaturation_enum.hpp \
57 Fragmentation/Interfragmenter.hpp \
58 Fragmentation/KeySet.hpp \
59 Fragmentation/MatrixContainer.hpp \
60 Fragmentation/Mask.hpp \
61 Fragmentation/MoleculeMask.hpp \
62 Fragmentation/PowerSetGenerator.hpp \
63 Fragmentation/SortIndex.hpp \
64 Fragmentation/UniqueFragments.hpp
65
66lib_LTLIBRARIES += \
67 libMolecuilderFragmentation_KeysetsContainer.la
68noinst_LTLIBRARIES += \
69 libMolecuilderFragmentation.la \
70 libMolecuilderFragmentation_getFromKeyset.la \
71 libMolecuilderFragmentation_getFromKeysetStub.la
72libMolecuilderFragmentation_la_includedir = $(includedir)/MoleCuilder/
73libMolecuilderFragmentation_KeysetsContainer_la_includedir = $(includedir)/MoleCuilder/
74libMolecuilderFragmentation_getFromKeyset_la_includedir = $(includedir)/MoleCuilder/
75libMolecuilderFragmentation_getFromKeysetStub_la_includedir = $(includedir)/MoleCuilder/
76libMolecuilderFragmentation_la_CPPFLAGS = $(AM_CPPFLAGS)
77libMolecuilderFragmentation_la_LDFLAGS = $(AM_LDFLAGS)
78libMolecuilderFragmentation_KeysetsContainer_la_LIBADD = \
79 $(CodePatterns_LIBS)
80libMolecuilderFragmentation_la_LIBADD =
81if CONDJOBMARKET
82libMolecuilderFragmentation_la_CPPFLAGS += ${JobMarket_CFLAGS}
83libMolecuilderFragmentation_la_LDFLAGS += $(JobMarket_LDFLAGS)
84libMolecuilderFragmentation_la_LIBADD += $(JobMarket_LIBS)
85endif
86
87nobase_libMolecuilderFragmentation_la_include_HEADERS = ${FRAGMENTATIONHEADER}
88nobase_libMolecuilderFragmentation_KeysetsContainer_la_include_HEADERS = \
89 Fragmentation/KeySetsContainer.hpp \
90 Fragmentation/parseKeySetFile.hpp
91
92## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
93## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
94## will therefore be treated as if it were literally part of the target name,
95## and the variable name derived from that.
96## The file extension .cc is recognized by Automake, and makes it produce
97## rules which invoke the C++ compiler to produce a libtool object file (.lo)
98## from each source file. Note that it is not necessary to list header files
99## which are already listed elsewhere in a _HEADERS variable assignment.
100libMolecuilderFragmentation_la_SOURCES = ${FRAGMENTATIONSOURCE}
101libMolecuilderFragmentation_KeysetsContainer_la_SOURCES = \
102 Fragmentation/KeySetsContainer.cpp \
103 Fragmentation/parseKeySetFile.cpp
104libMolecuilderFragmentation_getFromKeyset_la_SOURCES = \
105 Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp
106libMolecuilderFragmentation_getFromKeysetStub_la_SOURCES = \
107 Fragmentation/Homology/HomologyGraph_getFromKeysetStub.cpp
108
109## Instruct libtool to include ABI version information in the generated shared
110## library file (.so). The library ABI version is defined in configure.ac, so
111## that all version information is kept in one place.
112libMolecuilderFragmentation_KeysetsContainer_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
113
114## The generated configuration header is installed in its own subdirectory of
115## $(libdir). The reason for this is that the configuration information put
116## into this header file describes the target platform the installed library
117## has been built for. Thus the file must not be installed into a location
118## intended for architecture-independent files, as defined by the Filesystem
119## Hierarchy Standard (FHS).
120## The nodist_ prefix instructs Automake to not generate rules for including
121## the listed files in the distribution on 'make dist'. Files that are listed
122## in _HEADERS variables are normally included in the distribution, but the
123## configuration header file is generated at configure time and should not be
124## shipped with the source tarball.
125libMolecuilderFragmentation_KeysetsContainer_libincludedir = $(libdir)/MoleCuilder/include
126nodist_libMolecuilderFragmentation_KeysetsContainer_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
127
128## Install the generated pkg-config file (.pc) into the expected location for
129## architecture-dependent package configuration information. Occasionally,
130## pkg-config files are also used for architecture-independent data packages,
131## in which case the correct install location would be $(datadir)/pkgconfig.
132#pkgconfigdir = $(libdir)/pkgconfig
133#pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
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