Changeset 715085

Timestamp:

Nov 4, 2011, 3:20:40 PM (14 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:

2d31e1

Parents:

46bba0

git-author:

Frederik Heber <heber@…> (09/20/11 15:09:29)

git-committer:

Frederik Heber <heber@…> (11/04/11 15:20:40)

Message:

Simple boost::python test program added.

• we have a function greet() (as featured in the boost::python tutorial) exported into a python module libPythontest.so which is test in a separate regression test for the working function.

Files:

• configure.ac (modified) (2 diffs)
• m4/ax_python.m4 (added)
• src/Actions/hello.cpp (added)
• src/Makefile.am (modified) (1 diff)
• tests/regression/Makefile.am (modified) (2 diffs)
• tests/regression/Python/testsuite-python.at (added)
• tests/regression/testsuite.at (modified) (1 diff)

configure.ac

@@ -55 +55 @@
 DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
 
+# Python (for boost::python)
+AX_PYTHON
+
 # use libtool
 LT_INIT([static])
@@ -156 +159 @@
 BOOST_FILESYSTEM
 BOOST_PROGRAM_OPTIONS
+BOOST_PYTHON
 BOOST_SERIALIZATION
 BOOST_THREADS

src/Makefile.am

@@ -259 +259 @@
 molecuilder_DATA = Element/elements.db Element/valence.db Element/orbitals.db Element/Hbonddistance.db Element/Hbondangle.db
 
+lib_LTLIBRARIES += libPythontest.la
+libPythontest_la_SOURCES = Actions/hello.cpp
+libPythontest_la_CPPFLAGS = $(AM_CPPFLAGS) -I$(PYTHON_INCLUDE_DIR)
+libPythontest_la_LIBADD = \
+        $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
+        -l$(PYTHON_LIB)
+
+
 molecuilder_CXXFLAGS = $(AM_CPPFLAGS) 
 #molecuilder_CXXFLAGS += -DNO_CACHING

tests/regression/Makefile.am

@@ -16 +16 @@
         Options \
         Parser \
+        Python \
         RandomNumbers \
         Selection \
@@ -123 +124 @@
         $(srcdir)/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at \
         $(srcdir)/Parser/Xyz/testsuite-parser-xyz-save.at \
+        $(srcdir)/Python/testsuite-python.at \
         $(srcdir)/RandomNumbers/testsuite-randomnumbers.at \
         $(srcdir)/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at \

tests/regression/testsuite.at

@@ -15 +15 @@
 # Use colored output with new-enough Autotest.
 m4_ifdef([AT_COLOR_TESTS], [AT_COLOR_TESTS])
+
+m4_include(Python/testsuite-python.at)
 
 m4_include(Options/testsuite-options.at)