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 8a8c8c was 8a8c8c, checked in by Frederik Heber <heber@…>, 12 years ago |
|
Using CommMPI in VMGJob now.
- this is used instead of CommSerial as CommMPI is better maintained right now.
- using lx_find_mpi from Libra project to detect mpi compiler and linker flags.
|
-
Property mode
set to
100644
|
|
File size:
1.3 KB
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| Rev | Line | |
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| [cc5db5] | 1 | # PLEASE adhere to the alphabetical ordering in this Makefile!
|
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| 2 | # Also indentation by a single tab
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| 3 |
|
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| 4 | JOBSSOURCE = \
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| 5 | Jobs/MPQCCommandJob.cpp \
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| [4bc75d] | 6 | Jobs/MPQCData.cpp \
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| [28e894] | 7 | Jobs/MPQCJob.cpp
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| [d2a0f6d] | 8 | if CONDVMG
|
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| [e9cfc4] | 9 | JOBSSOURCE += \
|
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| 10 | Jobs/InterfaceVMGJob.cpp \
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| 11 | Jobs/VMGJob.cpp
|
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| [d2a0f6d] | 12 | endif
|
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| [cc5db5] | 13 |
|
|---|
| 14 | JOBSHEADER = \
|
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| 15 | Jobs/MPQCCommandJob.hpp \
|
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| [4bc75d] | 16 | Jobs/MPQCData.hpp \
|
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| [56df37] | 17 | Jobs/MPQCDataFused.hpp \
|
|---|
| 18 | Jobs/MPQCDataMap.hpp \
|
|---|
| [1f66c7] | 19 | Jobs/MPQCData_printKeyNames.hpp \
|
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| [56df37] | 20 | Jobs/MPQCJob.hpp
|
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| [d2a0f6d] | 21 | if CONDVMG
|
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| [e9cfc4] | 22 | JOBSHEADER += \
|
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| 23 | Jobs/InterfaceVMGJob.hpp \
|
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| 24 | Jobs/VMGJob.hpp
|
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| [d2a0f6d] | 25 | endif
|
|---|
| [cc5db5] | 26 |
|
|---|
| 27 | lib_LTLIBRARIES += libMolecuilderJobs.la
|
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| [b5c39c] | 28 | libMolecuilderJobs_la_includedir = $(includedir)/MoleCuilder/
|
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| [cc5db5] | 29 | nobase_libMolecuilderJobs_la_include_HEADERS = $(JOBSHEADER)
|
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| [d2a0f6d] | 30 | libMolecuilderJobs_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} ${JobMarket_CFLAGS} -Dvmg_float=double -Dvmg_int=int $(VMG_CFLAGS)
|
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| [cc5db5] | 31 | libMolecuilderJobs_la_LDFLAGS = $(AM_LDFLAGS) \
|
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| 32 | $(BOOST_SERIALIZATION_LDFLAGS) \
|
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| [004d5c] | 33 | $(JobMarket_LDFLAGS) \
|
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| [cc5db5] | 34 | $(CodePatterns_LDFLAGS)
|
|---|
| 35 | libMolecuilderJobs_la_SOURCES = $(JOBSSOURCE)
|
|---|
| 36 | libMolecuilderJobs_la_LIBADD = \
|
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| [d2a0f6d] | 37 | $(VMG_LIBS) \
|
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| [004d5c] | 38 | $(JobMarket_LIBS) \
|
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| [cc5db5] | 39 | $(BOOST_SERIALIZATION_LIBS) \
|
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| [004d5c] | 40 | $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
|
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| [cc5db5] | 41 | $(CodePatterns_LIBS)
|
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| [8a8c8c] | 42 | if CONDVMGMPI
|
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| 43 | libMolecuilderJobs_la_CPPFLAGS += $(MPI_CXXFLAGS)
|
|---|
| 44 | libMolecuilderJobs_la_LDFLAGS += $(MPI_CXXLDFLAGS)
|
|---|
| 45 | endif
|
|---|
| 46 | |
|---|
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