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root/OpenMD/branches/development/CMakeLists.txt
Revision: 1639
Committed: Sat Sep 24 20:18:07 2011 UTC (13 years, 7 months ago) by gezelter
Content type: text/plain
File size: 16755 byte(s)
Log Message: 
changing build process

File Contents

# User Rev Content
1 chuckv 1466 # Top level cmake script for OpenMD.
2    
3     cmake_minimum_required (VERSION 2.6)
4     project(OpenMD)
5    
6    
7     # OpenMD version number.
8 chuckv 1496 set (VERSION_MAJOR "2")
9     set (VERSION_MINOR "0")
10     set (VERSION_TINY "0")
11 chuckv 1466
12     # cmake modules that are needed to build oopse
13 gezelter 1639 SET(CMAKE_MODULE_PATH ${OpenMD_SOURCE_DIR}/cmake/modules)
14     SET(EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}/bin)
15     SET(LIBRARY_OUTPUT_PATH ${PROJECT_BINARY_DIR}/lib)
16 chuckv 1466
17 gezelter 1626 enable_language(CXX C)
18 chuckv 1466
19 gezelter 1636 if ( APPLE )
20     set(MPI_COMPILER /opt/local/lib/openmpi/bin/mpic++)
21     set(MPI_LIBRARY "MPI_LIBRARY-NOTFOUND" )
22     endif( APPLE )
23     FIND_PACKAGE(MPI)
24     IF ( MPI_FOUND )
25     SET(CMAKE_REQUIRED_INCLUDES "${MPI_INCLUDE_PATH};${CMAKE_REQUIRED_INCLUDES}")
26     INCLUDE_DIRECTORIES(${MPI_INCLUDE_PATH})
27     ENDIF()
28    
29     FIND_PACKAGE(Subversion)
30     IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn )
31     Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
32     MESSAGE("Current revision is ${Project_WC_REVISION}")
33     Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project)
34     SET(SVN_REV ${Project_WC_REVISION})
35     ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} )
36     ENDIF()
37    
38 chuckv 1466 # Optional libraries: If we can find these, we will build with them
39     # Look for OpenBabel libraries
40 chuckv 1496 find_package(OpenBabel2)
41     IF(OPENBABEL2_FOUND)
42     SET(USE_OPENBABEL)
43     include_directories(${OPENBABEL2_INCLUDE_DIR})
44     message(STATUS "Openbabel libs: " ${OPENBABEL2_LIBRARIES})
45     # TARGET_LINK_LIBRARIES(${OPENBABEL2_LIBRARIES})
46     ENDIF(OPENBABEL2_FOUND)
47    
48 chuckv 1466 #Look for QHULL Libraries
49     find_package(QHULL)
50 chuckv 1496 IF(QHULL_FOUND)
51     SET(HAVE_QHULL 1)
52 chuckv 1500 include_directories(${QHULL_INCLUDE_DIR})
53 chuckv 1496 LINK_LIBRARIES(${QHULL_LIBRARIES})
54     ENDIF(QHULL_FOUND)
55 chuckv 1466
56    
57 chuckv 1496 # zlib stuff
58     find_package(ZLIB)
59     if(ZLIB_FOUND)
60     SET(HAVE_LIBZ 1)
61     add_definitions(-DHAVE_LIBZ)
62     include_directories(${ZLIB_INCLUDE_DIR})
63     LINK_LIBRARIES(${ZLIB_LIBRARIES})
64     endif(ZLIB_FOUND)
65    
66     #FFTW
67     INCLUDE(${CMAKE_MODULE_PATH}/FindFFTW.cmake)
68     IF(FFTW_FOUND)
69     SET(HAVE_LIBFFTW 1)
70     SET(HAVE_FFTW3_H)
71     INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
72     LINK_LIBRARIES(${FFTW_LIBRARIES})
73     ENDIF(FFTW_FOUND)
74    
75    
76     #include checks
77     include(CheckIncludeFile)
78     CHECK_INCLUDE_FILE(fftw3.h HAVE_FFTW3_H)
79     CHECK_INCLUDE_FILE(fftw.h HAVE_FFWT_H)
80     CHECK_INCLUDE_FILE(dfftw.h HAVE_DFFTW_H)
81     CHECK_INCLUDE_FILE(cmath.h HAVE_CMATH_H)
82 gezelter 1636 check_include_file(limits.h HAVE_LIMITS_H)
83     check_include_file(stdlib.h HAVE_STDLIB_H)
84     check_include_file(string.h HAVE_STRING_H)
85     check_include_file("sys/ioctl.h" HAVE_SYS_IOCTL_H)
86     check_include_file(unistd.h HAVE_UNISTD_H)
87 chuckv 1496
88     #symbol checks
89     include(CheckSymbolExists)
90    
91     #function checks
92     include(CheckFunctionExists)
93 gezelter 1636 check_function_exists(atexit HAVE_ATEXIT)
94 chuckv 1496 check_function_exists(floor HAVE_FLOOR)
95 gezelter 1636 check_function_exists(pow HAVE_POW)
96     check_function_exists(select HAVE_SELECT)
97     check_function_exists(sqrt HAVE_SQRT)
98     check_function_exists(strcasecmp HAVE_STRCASECMP)
99     check_function_exists(strchr HAVE_STRCHR)
100     check_function_exists(strdup HAVE_STRDUP)
101     check_function_exists(strncasecmp HAVE_STRNCASECMP)
102     check_function_exists(strstr HAVE_STRSTR)
103     check_function_exists(strtol HAVE_STRTOL)
104     check_function_exists(strtoull HAVE_STRTOULL)
105     check_function_exists(sysmp HAVE_SYSMP)
106     check_function_exists(table HAVE_TABLE)
107 chuckv 1496
108    
109 gezelter 1639 FIND_PACKAGE(Perl)
110     IF(PERL_FOUND)
111     SET(PERL ${PERL_EXECUTABLE})
112     ELSE(PERL_FOUND)
113     MESSAGE(STATUS "Failed to find perl")
114     ENDIF(PERL_FOUND)
115    
116     FIND_PACKAGE(PythonInterp)
117     IF(PYTHON_EXECUTABLE)
118     SET(PYTHON ${PYTHON_EXECUTABLE})
119     ELSE(PYTHON_EXECUTABLE)
120     MESSAGE(STATUS "Failed to find python")
121     ENDIF(PYTHON_EXECUTABLE)
122    
123     SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations")
124    
125    
126 chuckv 1496 include(CMakePrintSystemInformation)
127    
128     configure_file (
129     "${PROJECT_SOURCE_DIR}/src/config.h.cmake"
130     "${PROJECT_SOURCE_DIR}/src/config.h"
131     )
132     include_directories (${PROJECT_SOURCE_DIR}/src)
133    
134     #CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/config.h.in ${CMAKE_CURRENT_BINARY_DIR}/config.h)
135    
136    
137 chuckv 1466 #Add executables for build
138 gezelter 1639 set (PROGRAMS
139     openmd
140     openmd_MPI
141     Dump2XYZ
142     simpleBuilder
143     StaticProps
144     DynamicProps
145     randomBuilder
146     nanoparticleBuilder
147     thermalizer
148     atom2md
149     Hydro)
150 chuckv 1466
151 gezelter 1639 set(SOURCE
152     src/antlr/ANTLRUtil.cpp
153     src/antlr/ASTFactory.cpp
154     src/antlr/ASTNULLType.cpp
155     src/antlr/ASTRefCount.cpp
156     src/antlr/BaseAST.cpp
157     src/antlr/BitSet.cpp
158     src/antlr/CharBuffer.cpp
159     src/antlr/CharScanner.cpp
160     src/antlr/CommonAST.cpp
161     src/antlr/CommonASTWithHiddenTokens.cpp
162     src/antlr/CommonHiddenStreamToken.cpp
163     src/antlr/CommonToken.cpp
164     src/antlr/InputBuffer.cpp
165     src/antlr/LLkParser.cpp
166     src/antlr/MismatchedCharException.cpp
167     src/antlr/MismatchedTokenException.cpp
168     src/antlr/NoViableAltException.cpp
169     src/antlr/NoViableAltForCharException.cpp
170     src/antlr/Parser.cpp
171     src/antlr/RecognitionException.cpp
172     src/antlr/String.cpp
173     src/antlr/Token.cpp
174     src/antlr/TokenBuffer.cpp
175     src/antlr/TokenRefCount.cpp
176     src/antlr/TokenStreamBasicFilter.cpp
177     src/antlr/TokenStreamHiddenTokenFilter.cpp
178     src/antlr/TokenStreamRewriteEngine.cpp
179     src/antlr/TokenStreamSelector.cpp
180     src/antlr/TreeParser.cpp
181     src/brains/BlockSnapshotManager.cpp
182     src/brains/DataStorage.cpp
183     src/brains/MoleculeCreator.cpp
184     src/brains/PairList.cpp
185     src/brains/Register.cpp
186     src/brains/SimSnapshotManager.cpp
187     src/brains/Snapshot.cpp
188     src/brains/Stats.cpp
189     src/constraints/Rattle.cpp
190     src/hydrodynamics/Ellipsoid.cpp
191     src/hydrodynamics/HydroProp.cpp
192     src/hydrodynamics/Sphere.cpp
193     src/integrators/DLM.cpp
194     src/integrators/Integrator.cpp
195     src/integrators/IntegratorFactory.cpp
196     src/integrators/LangevinDynamics.cpp
197     src/integrators/LDForceManager.cpp
198     src/integrators/NgammaT.cpp
199     src/integrators/NPAT.cpp
200     src/integrators/NPrT.cpp
201     src/integrators/NPT.cpp
202     src/integrators/NPTf.cpp
203     src/integrators/NPTi.cpp
204     src/integrators/NPTsz.cpp
205     src/integrators/NPTxyz.cpp
206     src/integrators/NVE.cpp
207     src/integrators/NVT.cpp
208     src/integrators/VelocityVerletIntegrator.cpp
209     src/io/AtomTypesSectionParser.cpp
210     src/io/BaseAtomTypesSectionParser.cpp
211     src/io/BendTypesSectionParser.cpp
212     src/io/BondTypesSectionParser.cpp
213     src/io/ChargeAtomTypesSectionParser.cpp
214     src/io/DirectionalAtomTypesSectionParser.cpp
215     src/io/EAMAtomTypesSectionParser.cpp
216     src/io/ForceFieldOptions.cpp
217     src/io/GayBerneAtomTypesSectionParser.cpp
218     src/io/Globals.cpp
219     src/io/gzstream.cpp
220     src/io/InversionTypesSectionParser.cpp
221     src/io/LennardJonesAtomTypesSectionParser.cpp
222     src/io/MultipoleAtomTypesSectionParser.cpp
223     src/io/NonBondedInteractionsSectionParser.cpp
224     src/io/OptionSectionParser.cpp
225     src/io/ParamConstraint.cpp
226     src/io/SCAtomTypesSectionParser.cpp
227     src/io/SectionParser.cpp
228     src/io/SectionParserManager.cpp
229     src/io/ShapeAtomTypesSectionParser.cpp
230     src/io/StickyAtomTypesSectionParser.cpp
231     src/io/StickyPowerAtomTypesSectionParser.cpp
232     src/io/TorsionTypesSectionParser.cpp
233     src/io/ZConsReader.cpp
234     src/lattice/CubicLattice.cpp
235     src/lattice/FCCLattice.cpp
236     src/lattice/Lattice.cpp
237     src/lattice/LatticeFactory.cpp
238     src/lattice/shapedLattice.cpp
239     src/math/ChebyshevT.cpp
240     src/math/ChebyshevU.cpp
241     src/math/CubicSpline.cpp
242     src/math/LegendrePolynomial.cpp
243     src/math/RealSphericalHarmonic.cpp
244     src/math/RMSD.cpp
245     src/math/SeqRandNumGen.cpp
246     src/math/SphericalHarmonic.cpp
247     src/math/Wigner3jm.cpp
248     src/mdParser/FilenameObserver.cpp
249     src/mdParser/MDLexer.cpp
250     src/mdParser/MDParser.cpp
251     src/mdParser/MDTreeParser.cpp
252     src/minimizers/MinimizerFactory.cpp
253     src/minimizers/MinimizerParameterSet.cpp
254     src/nonbonded/EAM.cpp
255     src/nonbonded/Electrostatic.cpp
256     src/nonbonded/GB.cpp
257     src/nonbonded/InteractionManager.cpp
258     src/nonbonded/LJ.cpp
259     src/nonbonded/MAW.cpp
260     src/nonbonded/Morse.cpp
261     src/nonbonded/RepulsivePower.cpp
262     src/nonbonded/SC.cpp
263     src/nonbonded/Sticky.cpp
264     src/nonbonded/SwitchingFunction.cpp
265     src/primitives/Atom.cpp
266     src/primitives/Bend.cpp
267     src/primitives/DirectionalAtom.cpp
268     src/primitives/GhostBend.cpp
269     src/primitives/GhostTorsion.cpp
270     src/primitives/Inversion.cpp
271     src/primitives/Molecule.cpp
272     src/primitives/RigidBody.cpp
273     src/primitives/StuntDouble.cpp
274     src/primitives/Torsion.cpp
275     src/primitives/UreyBradleyBend.cpp
276     src/restraints/MolecularRestraint.cpp
277     src/restraints/ObjectRestraint.cpp
278     src/selection/DistanceFinder.cpp
279     src/selection/HullFinder.cpp
280     src/selection/IndexFinder.cpp
281     src/selection/NameFinder.cpp
282     src/selection/SelectionCompiler.cpp
283     src/selection/SelectionEvaluator.cpp
284     src/selection/SelectionManager.cpp
285     src/selection/SelectionToken.cpp
286     src/selection/TokenMap.cpp
287     src/types/AtomStamp.cpp
288     src/types/AtomType.cpp
289     src/types/BendStamp.cpp
290     src/types/BondStamp.cpp
291     src/types/CharmmTorsionType.cpp
292     src/types/Component.cpp
293     src/types/CutoffGroupStamp.cpp
294     src/types/DirectionalAtomType.cpp
295     src/types/FragmentStamp.cpp
296     src/types/ImproperCosineInversionType.cpp
297     src/types/InversionStamp.cpp
298     src/types/MoleculeStamp.cpp
299     src/types/NonBondedInteractionType.cpp
300     src/types/RestraintStamp.cpp
301     src/types/RigidBodyStamp.cpp
302     src/types/ShapeAtomType.cpp
303     src/types/TorsionStamp.cpp
304     src/types/ZconsStamp.cpp
305     src/UseTheForce/Amber_FF.cpp
306     src/UseTheForce/CLAYFF.cpp
307     src/UseTheForce/DUFF.cpp
308     src/UseTheForce/EADM_FF.cpp
309     src/UseTheForce/EAM_FF.cpp
310     src/UseTheForce/ForceField.cpp
311     src/UseTheForce/ForceFieldFactory.cpp
312     src/UseTheForce/MnM_FF.cpp
313     src/UseTheForce/SC_FF.cpp
314     src/UseTheForce/SHAPES_FF.cpp
315     src/utils/ElementsTable.cpp
316     src/utils/MoLocator.cpp
317     src/utils/OpenMDBitSet.cpp
318     src/utils/PropertyMap.cpp
319     src/utils/StringTokenizer.cpp
320     src/utils/StringUtils.cpp
321     src/utils/Trim.cpp
322     src/utils/Utility.cpp
323     src/utils/wildcards.cpp
324     src/visitors/AtomNameVisitor.cpp
325     src/visitors/AtomVisitor.cpp
326     src/visitors/CompositeVisitor.cpp
327     src/visitors/LipidTransVisitor.cpp
328     src/visitors/OtherVisitor.cpp
329     src/visitors/ReplacementVisitor.cpp
330     src/visitors/RigidBodyVisitor.cpp
331     src/visitors/ZconsVisitor.cpp
332     )
333 chuckv 1466
334 gezelter 1639 set( PARALLEL_SOURCE
335     src/brains/ForceManager.cpp
336     src/brains/SimCreator.cpp
337     src/brains/SimInfo.cpp
338     src/brains/Thermo.cpp
339     src/constraints/ZconstraintForceManager.cpp
340     src/integrators/RNEMD.cpp
341     src/integrators/Velocitizer.cpp
342     src/io/DumpReader.cpp
343     src/io/DumpWriter.cpp
344     src/io/RestReader.cpp
345     src/io/RestWriter.cpp
346     src/io/StatWriter.cpp
347     src/io/ZConsWriter.cpp
348     src/io/ifstrstream.cpp
349     src/math/ParallelRandNumGen.cpp
350     src/minimizers/CGFamilyMinimizer.cpp
351     src/minimizers/Minimizer.cpp
352     src/minimizers/PRCG.cpp
353     src/minimizers/SDMinimizer.cpp
354     src/parallel/ForceDecomposition.cpp
355     src/parallel/ForceMatrixDecomposition.cpp
356     src/restraints/RestraintForceManager.cpp
357     src/restraints/ThermoIntegrationForceManager.cpp
358     src/utils/ProgressBar.cpp
359     src/utils/simError.c
360     )
361    
362     IF(QHULL_FOUND)
363     set(QHULL_SOURCE
364     src/integrators/LangevinHullDynamics.cpp
365     src/math/Triangle.cpp
366     )
367     set(QHULL_PARALLEL_SOURCE
368     src/integrators/LangevinHullForceManager.cpp
369     src/math/ConvexHull.cpp
370     src/math/AlphaHull.cpp
371     )
372     ENDIF(QHULL_FOUND)
373    
374     add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} )
375     add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
376    
377     IF(MPI_FOUND)
378     add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
379     set_target_properties(openmd_parallel PROPERTIES
380     COMPILE_DEFINITIONS IS_MPI
381     )
382     ENDIF(MPI_FOUND)
383    
384     add_executable(openmd src/applications/openmd/openmd.cpp)
385     target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core)
386    
387     if (MPI_FOUND)
388     add_executable(openmd_MPI src/applications/openmd/openmd.cpp)
389     set_target_properties(openmd_MPI PROPERTIES
390     COMPILE_DEFINITIONS IS_MPI
391     )
392     target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
393     ENDIF (MPI_FOUND)
394    
395     set (DUMP2XYZSOURCE
396     src/applications/dump2Xyz/Dump2XYZ.cpp
397     src/applications/dump2Xyz/Dump2XYZCmd.c
398     )
399    
400     set (DYNAMICPROPSSOURCE
401     src/applications/dynamicProps/ActionCorrFunc.cpp
402     src/applications/dynamicProps/CrossTimeCorrFunc.cpp
403     src/applications/dynamicProps/DipoleCorrFunc.cpp
404     src/applications/dynamicProps/DirectionalRCorrFunc.cpp
405     src/applications/dynamicProps/DynamicProps.cpp
406     src/applications/dynamicProps/EnergyCorrFunc.cpp
407     src/applications/dynamicProps/FrameTimeCorrFunc.cpp
408     src/applications/dynamicProps/LegendreCorrFunc.cpp
409     src/applications/dynamicProps/MomentumCorrFunc.cpp
410     src/applications/dynamicProps/ParticleTimeCorrFunc.cpp
411     src/applications/dynamicProps/RadialRCorrFunc.cpp
412     src/applications/dynamicProps/RCorrFunc.cpp
413     src/applications/dynamicProps/StressCorrFunc.cpp
414     src/applications/dynamicProps/SystemDipoleCorrFunc.cpp
415     src/applications/dynamicProps/ThetaCorrFunc.cpp
416     src/applications/dynamicProps/TimeCorrFunc.cpp
417     src/applications/dynamicProps/VCorrFunc.cpp
418     src/applications/dynamicProps/DynamicPropsCmd.c
419     )
420    
421     set (HYDROSOURCE
422     src/applications/hydrodynamics/AnalyticalModel.cpp
423     src/applications/hydrodynamics/ApproximationModel.cpp
424     src/applications/hydrodynamics/BeadModel.cpp
425     src/applications/hydrodynamics/CompositeShape.cpp
426     src/applications/hydrodynamics/Hydro.cpp
427     src/applications/hydrodynamics/HydrodynamicsModel.cpp
428     src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
429     src/applications/hydrodynamics/RoughShell.cpp
430     src/applications/hydrodynamics/ShapeBuilder.cpp
431     src/applications/hydrodynamics/HydroCmd.c
432     )
433    
434     set (STATICPROPSSOURCE
435     src/applications/staticProps/AngleR.cpp
436     src/applications/staticProps/BondAngleDistribution.cpp
437     src/applications/staticProps/BondOrderParameter.cpp
438     src/applications/staticProps/BOPofR.cpp
439     src/applications/staticProps/DensityPlot.cpp
440     src/applications/staticProps/GofAngle2.cpp
441     src/applications/staticProps/GofR.cpp
442     src/applications/staticProps/GofRAngle.cpp
443     src/applications/staticProps/GofRZ.cpp
444     src/applications/staticProps/GofXyz.cpp
445     src/applications/staticProps/GofZ.cpp
446     src/applications/staticProps/Hxy.cpp
447     src/applications/staticProps/NanoLength.cpp
448     src/applications/staticProps/NanoVolume.cpp
449     src/applications/staticProps/ObjectCount.cpp
450     src/applications/staticProps/P2OrderParameter.cpp
451     src/applications/staticProps/pAngle.cpp
452     src/applications/staticProps/RadialDistrFunc.cpp
453     src/applications/staticProps/RhoR.cpp
454     src/applications/staticProps/RhoZ.cpp
455     src/applications/staticProps/RippleOP.cpp
456     src/applications/staticProps/SCDOrderParameter.cpp
457     src/applications/staticProps/StaticProps.cpp
458     src/applications/staticProps/TetrahedralityParam.cpp
459     src/applications/staticProps/TwoDGofR.cpp
460     src/applications/staticProps/StaticPropsCmd.c
461     )
462    
463     set (NANOPARTICLEBUILDERSOURCE
464     src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
465     src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
466     src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.c
467     )
468    
469     set (RANDOMBUILDERSOURCE
470     src/applications/randomBuilder/randomBuilder.cpp
471     src/applications/randomBuilder/randomBuilderCmd.c
472     )
473    
474     set(SIMPLEBUILDERSOURCE
475     src/applications/simpleBuilder/simpleBuilder.cpp
476     src/applications/simpleBuilder/simpleBuilderCmd.c
477     )
478    
479     set(THERMALIZERSOURCE
480     src/applications/thermalizer/thermalizer.cpp
481     src/applications/thermalizer/thermalizerCmd.c
482     )
483    
484     add_executable(Dump2XYZ ${DUMP2XYZSOURCE})
485     target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core)
486     add_executable(DynamicProps ${DYNAMICPROPSSOURCE})
487     target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core)
488     add_executable(Hydro ${HYDROSOURCE})
489     target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core)
490     add_executable(StaticProps ${STATICPROPSSOURCE})
491     target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core)
492     add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE})
493     target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core)
494     add_executable(randomBuilder ${RANDOMBUILDERSOURCE})
495     target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core)
496     add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE})
497     target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core)
498     add_executable(thermalizer ${THERMALIZERSOURCE})
499     target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core)
500    
501     if (OPENBABEL2_FOUND)
502     set (ATOM2MDSOURCE
503     src/applications/atom2md/atom2md.cpp
504     src/applications/atom2md/openmdformat.cpp
505     )
506     add_executable(atom2md ${ATOM2MDSOURCE})
507     target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
508     ENDIF (OPENBABEL2_FOUND)
509    
510    
511     set(PY_FILES
512     src/applications/hydrodynamics/diffExplainer
513     src/applications/utilities/affineScale
514     src/applications/utilities/dumpConverter
515     src/applications/utilities/md-solvator
516     src/applications/utilities/md2md
517     src/applications/utilities/mdSplit
518     src/applications/utilities/principalAxisCalculator
519     src/applications/utilities/stat2visco
520     src/applications/utilities/waterRotator
521     )
522    
523     IF(PYTHON_EXECUTABLE)
524     foreach(PY_FILE ${PY_FILES})
525     configure_file(${PY_FILE} "${EXECUTABLE_OUTPUT_PATH}"/${PY_FILE} @ONLY)
526     endforeach(PY_FILE)
527     #INSTALL(FILES ${PY_FILES} DESTINATION ${EXECUTABLE_OUTPUT_PATH})
528     ENDIF(PYTHON_EXECUTABLE)
529    
530     set(PERL_FILES
531     src/applications/utilities/solvator
532     src/applications/utilities/waterBoxer
533     )
534    
535     IF(PERL_FOUND)
536     foreach(PERL_FILE ${PERL_FILES})
537     configure_file(${PERL_FILE} "${EXECUTABLE_OUTPUT_PATH}"/${PERL_FILE} @ONLY)
538     endforeach(PERL_FILE)
539     #INSTALL(FILES ${PERL_FILES} DESTINATION ${EXECUTABLE_OUTPUT_PATH})
540     ENDIF(PERL_FOUND)