Changeset 786d28


Ignore:
Timestamp:
Jun 27, 2014, 9:32:55 PM (11 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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
Children:
7f8c9a
Parents:
2cc7faa
git-author:
Frederik Heber <heber@…> (04/23/14 11:24:32)
git-committer:
Frederik Heber <heber@…> (06/27/14 21:32:55)
Message:

Lib..FragmentationAutomation and lib..Jobs now also compiled without JobMarket.

are also compiled, makes sense with upcoming MPQCCommandFragmentController.

  • must not compile SpecificFragmentController or MPQCFragmentController without JobMarket.
  • now requires libboost_iostreams.
  • this is due to MPQCCommandJob fiddling with streams to convert results.
Location:
src
Files:
7 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/GlobalListOfActions.hpp

    r2cc7faa r786d28  
    122122  (SelectionNotShapeByName) \
    123123  (FragmentationAnalyseFragmentationResults) \
     124  (FragmentationFragmentationAutomation) \
    124125  (FragmentationClearFragmentationResults) \
    125126  (FragmentationFragmentation) \
     127  (FragmentationMolecularDynamics) \
     128  (FragmentationParseFragmentJobs) \
    126129  (FragmentationStoreSaturatedFragment) \
    127130  (PotentialFitParticleCharges) \
    … …  
    137140  (ShapeTranslateShape)
    138141
    139 // we need to append the automation action in case we have the JobMarket
    140 #ifdef HAVE_JOBMARKET
    141 #define GLOBALLISTOFACTIONS_JOBMARKET \
    142     BOOST_PP_SEQ_PUSH_BACK( \
    143         BOOST_PP_SEQ_PUSH_BACK( \
    144             BOOST_PP_SEQ_PUSH_BACK( \
    145                 GLOBALLISTOFACTIONS_initial, \
    146                 FragmentationFragmentationAutomation \
    147             ), \
    148             FragmentationMolecularDynamics \
    149         ), \
    150         FragmentationParseFragmentJobs \
    151     )
    152 #else
    153 #define GLOBALLISTOFACTIONS_JOBMARKET \
    154     GLOBALLISTOFACTIONS_initial
    155 #endif /* HAVE_JOBMARKET */
    156 
     142// extend list of actions in case levmar is available
    157143#ifdef HAVE_LEVMAR
    158144#define GLOBALLISTOFACTIONS_LEVMAR \
    159145    BOOST_PP_SEQ_PUSH_BACK( \
    160         GLOBALLISTOFACTIONS_JOBMARKET, \
     146        GLOBALLISTOFACTIONS_initial, \
    161147        PotentialFitPotential \
    162148    )
    163149#else
    164150#define GLOBALLISTOFACTIONS_LEVMAR \
    165     GLOBALLISTOFACTIONS_JOBMARKET
     151    GLOBALLISTOFACTIONS_initial
    166152#endif /* HAVE_LEVMAR */
    167153

  • src/Actions/Makefile.am

    r2cc7faa r786d28  
    226226  Actions/FragmentationAction/ClearFragmentationResultsAction.cpp \
    227227  Actions/FragmentationAction/FragmentationAction.cpp \
     228  Actions/FragmentationAction/FragmentationAutomationAction.cpp \
     229  Actions/FragmentationAction/MolecularDynamicsAction.cpp \
     230  Actions/FragmentationAction/ParseFragmentJobsAction.cpp \
    228231  Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp
    229232FRAGMENTATIONACTIONHEADER = \
    … …  
    231234  Actions/FragmentationAction/ClearFragmentationResultsAction.hpp \
    232235  Actions/FragmentationAction/FragmentationAction.hpp \
     236  Actions/FragmentationAction/FragmentationAutomationAction.hpp \
     237  Actions/FragmentationAction/MolecularDynamicsAction.hpp \
     238  Actions/FragmentationAction/ParseFragmentJobsAction.hpp \
    233239  Actions/FragmentationAction/StoreSaturatedFragmentAction.hpp
    234240FRAGMENTATIONACTIONDEFS = \
    … …  
    236242  Actions/FragmentationAction/ClearFragmentationResultsAction.def \
    237243  Actions/FragmentationAction/FragmentationAction.def \
    238   Actions/FragmentationAction/StoreSaturatedFragmentAction.def
    239 
    240 if CONDJOBMARKET
    241 FRAGMENTATIONACTIONSOURCE += \
    242   Actions/FragmentationAction/FragmentationAutomationAction.cpp \
    243   Actions/FragmentationAction/MolecularDynamicsAction.cpp \
    244   Actions/FragmentationAction/ParseFragmentJobsAction.cpp
    245 FRAGMENTATIONACTIONHEADER += \
    246   Actions/FragmentationAction/FragmentationAutomationAction.hpp \
    247   Actions/FragmentationAction/MolecularDynamicsAction.hpp \
    248   Actions/FragmentationAction/ParseFragmentJobsAction.hpp
    249 FRAGMENTATIONACTIONDEFS += \
    250244  Actions/FragmentationAction/FragmentationAutomationAction.def \
    251245  Actions/FragmentationAction/MolecularDynamicsAction.def \
    252   Actions/FragmentationAction/ParseFragmentJobsAction.def
    253 endif
     246  Actions/FragmentationAction/ParseFragmentJobsAction.def \
     247  Actions/FragmentationAction/StoreSaturatedFragmentAction.def
    254248
    255249GRAPHACTIONSOURCE = \

  • src/Fragmentation/Automation/Makefile.am

    r2cc7faa r786d28  
    33
    44FRAGMENTATIONAUTOMATIONSOURCE = \
    5         Fragmentation/Automation/FragmentJobQueue.cpp \
     5        Fragmentation/Automation/FragmentJobQueue.cpp
     6
     7if CONDJOBMARKET
     8FRAGMENTATIONAUTOMATIONSOURCE += \
    69        Fragmentation/Automation/MPQCFragmentController.cpp \
    710        Fragmentation/Automation/SpecificFragmentController.cpp
     11endif
    812
    913if CONDVMG
    … …  
    1519FRAGMENTATIONAUTOMATIONHEADER = \
    1620        Fragmentation/Automation/FragmentJobQueue.hpp \
     21        Fragmentation/Automation/ResultContainer.hpp \
     22        Fragmentation/Automation/ResultContainer_impl.hpp
     23
     24if CONDJOBMARKET
     25FRAGMENTATIONAUTOMATIONHEADER += \
    1726        Fragmentation/Automation/MPQCFragmentController.hpp \
    18         Fragmentation/Automation/ResultContainer.hpp \
    19         Fragmentation/Automation/ResultContainer_impl.hpp \
    2027        Fragmentation/Automation/SpecificFragmentController.hpp \
    2128        Fragmentation/Automation/SpecificFragmentController_ReceiveResultContainer_impl.hpp
     29endif
    2230       
    2331if CONDVMG

  • src/Fragmentation/Makefile.am

    r2cc7faa r786d28  
    44FRAGMENTATIONSOURCE = \
    55        Fragmentation/Exporters/ExportGraph_ToFiles.cpp \
     6        Fragmentation/Exporters/ExportGraph_ToJobs.cpp \
    67        Fragmentation/Exporters/ExportGraph.cpp \
    78        Fragmentation/Exporters/HydrogenPool.cpp \
    … …  
    2930FRAGMENTATIONHEADER = \
    3031        Fragmentation/Exporters/ExportGraph_ToFiles.hpp \
     32        Fragmentation/Exporters/ExportGraph_ToJobs.hpp \
    3133        Fragmentation/Exporters/ExportGraph.hpp \
    3234        Fragmentation/Exporters/HydrogenPool.hpp \
    … …  
    5759        Fragmentation/SortIndex.hpp \
    5860        Fragmentation/UniqueFragments.hpp
    59 
    60 if CONDJOBMARKET
    61 FRAGMENTATIONSOURCE += \
    62         Fragmentation/Exporters/ExportGraph_ToJobs.cpp
    63 FRAGMENTATIONHEADER += \
    64         Fragmentation/Exporters/ExportGraph_ToJobs.hpp
    65 endif
    6661
    6762lib_LTLIBRARIES += \

  • src/Jobs/Makefile.am

    r2cc7faa r786d28  
    5454libMolecuilderJobs_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} ${JobMarket_CFLAGS} -Dvmg_float=double -Dvmg_int=int $(VMG_CFLAGS)
    5555libMolecuilderJobs_la_LDFLAGS = $(AM_LDFLAGS) \
     56  $(BOOST_IOSTREAMS_LDFLAGS) \
    5657  $(BOOST_SERIALIZATION_LDFLAGS) \
    5758  $(BOOST_SYSTEM_LDFLAGS)
    … …  
    7576endif
    7677libMolecuilderJobs_la_LIBADD += \
     78  $(BOOST_IOSTREAMS_LIBS) \
    7779  $(BOOST_SERIALIZATION_LIBS) \
    7880  $(BOOST_SYSTEM_LIBS) \

  • src/Makefile.am

    r2cc7faa r786d28  
    1616include Filling/Makefile.am
    1717include Fragmentation/Makefile.am
     18include Fragmentation/Automation/Makefile.am
    1819include Fragmentation/Summation/Containers/Makefile.am
    1920include Fragmentation/Summation/Converter/Makefile.am
    … …  
    2324include Graph/Makefile.am
    2425include Helpers/Makefile.am
    25 
    26 if CONDJOBMARKET
    27 include Fragmentation/Automation/Makefile.am
    2826include Jobs/Makefile.am
    29 endif
    3027
    3128if CONDPYTHON
    … …  
    5754
    5855DESCRIPTORSOURCE = \
    59         Descriptors/AtomDescriptor.cpp \
     56  Descriptors/AtomDescriptor.cpp \
    6057  Descriptors/AtomIdDescriptor.cpp \
    6158  Descriptors/AtomOfMoleculeDescriptor.cpp \

  • src/UIElements/Makefile.am

    r2cc7faa r786d28  
    252252        libMolecuilderFilling.la \
    253253        libMolecuilder.la \
     254        libMolecuilderFragmentationAutomation.la \
    254255        libMolecuilderFragmentation_getFromKeyset.la \
    255         libMolecuilderFragmentation.la
     256        libMolecuilderFragmentation.la \
     257        libMolecuilderJobs.la
    256258if CONDJOBMARKET
    257259libMolecuilderUI_la_LIBADD += \
    258         libMolecuilderFragmentationAutomation.la \
    259         libMolecuilderJobs.la \
    260260        ${JobMarket_Controller_LIBS}
    261261endif
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