Changeset cb98f1 for src/Jobs

Timestamp:

Mar 2, 2017, 2:01:50 PM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

290c8e

Parents:

dfeb7c

git-author:

Frederik Heber <heber@…> (02/20/17 09:46:50)

git-committer:

Frederik Heber <heber@…> (03/02/17 14:01:50)

Message:

FIX: One Definition Rule violation by mpqc.

• mpqc.cc implements MPQCJob::Work() a second time (other in MPQCJob.cpp), this violates ODR and did so far work out of sheer luck. This was brough to surface by making a debian package.
• Now, we extracted MPQCJob::Work() into a separate library.

Location:

src/Jobs

Files:

• MPQCJob.cpp (modified) (2 diffs)
• MPQCJob_Work.cpp (added)
• Makefile.am (modified) (3 diffs)
• unittests/Makefile.am (modified) (1 diff)

src/Jobs/MPQCJob.cpp

@@ -45 +45 @@
 
 #include <limits>
-#include <sstream>
 
 #include "CodePatterns/Assert.hpp"
@@ -84 +83 @@
 {}
 
-FragmentResult::ptr MPQCJob::Work()
-{
-  // instantiate empty data
-  const MPQCData data;
-  std::stringstream returnstream;
-  boost::archive::text_oarchive oa(returnstream);
-  oa << data;
-
-  // create the result
-  FragmentResult::ptr ptr( new FragmentResult(getId(), returnstream.str()) );
-  if (data.desired_accuracy != 0.) {
-    ptr->exitflag = data.accuracy < data.desired_accuracy ? 0 : 1;
-    if (ptr->exitflag != 0)
-      ELOG(1, "Job #" << ptr->getId() << " failed to reach desired accuracy.");
-  } else {
-    LOG(3, "INFO: No precision returned from MPQC job, not checking.");
-  }
-
-  return ptr;
-}
-
 // we need to explicitly instantiate the serialization functions as
 // its is only serialized through its base class FragmentJob

src/Jobs/Makefile.am

@@ -55 +55 @@
 endif
 
-lib_LTLIBRARIES += libMolecuilderJobs.la
+lib_LTLIBRARIES += \
+        libMolecuilderJobs.la
+noinst_LTLIBRARIES += \
+        libMolecuilderJobs_Work.la
 libMolecuilderJobs_la_includedir = $(includedir)/MoleCuilder/
 nobase_libMolecuilderJobs_la_include_HEADERS = $(JOBSHEADER)
 libMolecuilderJobs_la_CPPFLAGS = $(AM_CPPFLAGS) ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} ${JobMarket_CFLAGS} -Dvmg_float=double -Dvmg_int=int $(VMG_CFLAGS)
+libMolecuilderJobs_Work_la_CPPFLAGS = $(AM_CPPFLAGS) ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} ${JobMarket_CFLAGS} -Dvmg_float=double -Dvmg_int=int $(VMG_CFLAGS)
 libMolecuilderJobs_la_LDFLAGS = $(AM_LDFLAGS) \
   $(BOOST_IOSTREAMS_LDFLAGS) \
   $(BOOST_SERIALIZATION_LDFLAGS) \
   $(BOOST_SYSTEM_LDFLAGS)
+libMolecuilderJobs_Work_la_LDFLAGS = $(AM_LDFLAGS)
 if CONDJOBMARKET
 libMolecuilderJobs_la_LDFLAGS += \
+  $(JobMarket_LDFLAGS)
+libMolecuilderJobs_Work_la_LDFLAGS += \
   $(JobMarket_LDFLAGS)
 endif
@@ -83 +90 @@
 if CONDJOBMARKET
 libMolecuilderJobs_la_LIBADD += \
+  $(JobMarket_LIBS)
+libMolecuilderJobs_Work_la_LIBADD = \
   $(JobMarket_LIBS)
 endif
@@ -105 +114 @@
 ## which are already listed elsewhere in a _HEADERS variable assignment.
 libMolecuilderJobs_la_SOURCES = $(JOBSSOURCE)
+libMolecuilderJobs_Work_la_SOURCES = Jobs/MPQCJob_Work.cpp
 
 ## Instruct libtool to include ABI version information in the generated shared

src/Jobs/unittests/Makefile.am

@@ -20 +20 @@
         ../libMolecuilder.la \
         ../libMolecuilderJobs.la \
+        ../libMolecuilderJobs_Work.la \
         ../libMolecuilderFragmentationContainers.la \
         ../libMolecuilderFragmentationSummation.la \