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 1f693d was fbf143, checked in by Frederik Heber <heber@…>, 12 years ago |
|
Placed Containers, Converter, and SetValues as subfolders into Summation.
- also libMolecuilderFragmentationSummation is now a shared library, easing
linkage to libMolecuilderJobs, and contains all of the three convenience
libraries.
- libMolecuilderFragmentationSetValues is now again convenience, as contained
in ..Summation which in turn is shared.
- KeySetsContainer right now is the link between lib..Summation and lib..
Fragmentation. Hence, we had to extract the module and change it into a
shared library, as it is required by libMolecuilderJobs through ..Summation
but also by ..Fragmentation that heavily relies on this container.
- moved parseKeySetFile down into Fragmentation folder to KeySetsContainer, it
is also contained in new shared library libMolecuilderFragmentation_
KeySetsContainer.
|
-
Property mode
set to
100644
|
|
File size:
1.6 KB
|
| Rev | Line | |
|---|
| [cc5db5] | 1 | # PLEASE adhere to the alphabetical ordering in this Makefile!
|
|---|
| 2 | # Also indentation by a single tab
|
|---|
| 3 |
|
|---|
| 4 | JOBSSOURCE = \
|
|---|
| [4d4ef8] | 5 | Jobs/MPQCCommandJob.cpp \
|
|---|
| 6 | Jobs/MPQCJob.cpp
|
|---|
| [d2a0f6d] | 7 | if CONDVMG
|
|---|
| [e9cfc4] | 8 | JOBSSOURCE += \
|
|---|
| [238868] | 9 | Jobs/InterfaceVMGDebugGridJob.cpp \
|
|---|
| [e9cfc4] | 10 | Jobs/InterfaceVMGJob.cpp \
|
|---|
| [238868] | 11 | Jobs/VMGDebugGridJob.cpp \
|
|---|
| [b123a5] | 12 | Jobs/VMGJob.cpp \
|
|---|
| 13 | Jobs/WindowGrid_converter.cpp
|
|---|
| [d2a0f6d] | 14 | endif
|
|---|
| [cc5db5] | 15 |
|
|---|
| 16 | JOBSHEADER = \
|
|---|
| [4d4ef8] | 17 | Jobs/MPQCCommandJob.hpp \
|
|---|
| 18 | Jobs/MPQCCommandJob_binding.hpp \
|
|---|
| [1b01e9] | 19 | Jobs/MPQCJob.hpp \
|
|---|
| 20 | Jobs/MPQCJob_binding.hpp
|
|---|
| [d2a0f6d] | 21 | if CONDVMG
|
|---|
| [e9cfc4] | 22 | JOBSHEADER += \
|
|---|
| [238868] | 23 | Jobs/InterfaceVMGDebugGridJob.hpp \
|
|---|
| [e9cfc4] | 24 | Jobs/InterfaceVMGJob.hpp \
|
|---|
| [238868] | 25 | Jobs/VMGDebugGridJob.hpp \
|
|---|
| [4d4ef8] | 26 | Jobs/VMGDebugGridJob_binding.hpp \
|
|---|
| 27 | Jobs/VMGJob.hpp \
|
|---|
| [b123a5] | 28 | Jobs/VMGJob_binding.hpp \
|
|---|
| 29 | Jobs/WindowGrid_converter.hpp
|
|---|
| [d2a0f6d] | 30 | endif
|
|---|
| [cc5db5] | 31 |
|
|---|
| 32 | lib_LTLIBRARIES += libMolecuilderJobs.la
|
|---|
| [b5c39c] | 33 | libMolecuilderJobs_la_includedir = $(includedir)/MoleCuilder/
|
|---|
| [cc5db5] | 34 | nobase_libMolecuilderJobs_la_include_HEADERS = $(JOBSHEADER)
|
|---|
| [d2a0f6d] | 35 | libMolecuilderJobs_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} ${JobMarket_CFLAGS} -Dvmg_float=double -Dvmg_int=int $(VMG_CFLAGS)
|
|---|
| [cc5db5] | 36 | libMolecuilderJobs_la_LDFLAGS = $(AM_LDFLAGS) \
|
|---|
| 37 | $(BOOST_SERIALIZATION_LDFLAGS) \
|
|---|
| [4adfba] | 38 | $(BOOST_SYSTEM_LDFLAGS) \
|
|---|
| [004d5c] | 39 | $(JobMarket_LDFLAGS) \
|
|---|
| [cc5db5] | 40 | $(CodePatterns_LDFLAGS)
|
|---|
| 41 | libMolecuilderJobs_la_SOURCES = $(JOBSSOURCE)
|
|---|
| 42 | libMolecuilderJobs_la_LIBADD = \
|
|---|
| [fbf143] | 43 | libMolecuilderFragmentationSummation.la
|
|---|
| [4d4ef8] | 44 | if CONDVMG
|
|---|
| 45 | libMolecuilderJobs_la_LIBADD += \
|
|---|
| 46 | $(VMG_LIBS)
|
|---|
| 47 | endif
|
|---|
| 48 | libMolecuilderJobs_la_LIBADD += \
|
|---|
| [4adfba] | 49 | $(JobMarket_LIBS) \
|
|---|
| [cc5db5] | 50 | $(BOOST_SERIALIZATION_LIBS) \
|
|---|
| [4adfba] | 51 | $(BOOST_SYSTEM_LIBS) \
|
|---|
| 52 | $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
|
|---|
| [cc5db5] | 53 | $(CodePatterns_LIBS)
|
|---|
| [8a8c8c] | 54 | if CONDVMGMPI
|
|---|
| 55 | libMolecuilderJobs_la_CPPFLAGS += $(MPI_CXXFLAGS)
|
|---|
| 56 | libMolecuilderJobs_la_LDFLAGS += $(MPI_CXXLDFLAGS)
|
|---|
| 57 | endif
|
|---|
| [447481] | 58 |
|
|---|
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