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root/OpenMD/branches/development/CMakeLists.txt
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Comparing branches/development/CMakeLists.txt (file contents):
Revision 1636 by gezelter, Thu Sep 15 19:08:55 2011 UTC vs.
Revision 1639 by gezelter, Sat Sep 24 20:18:07 2011 UTC

# Line 10 | Line 10 | set (VERSION_TINY "0")  
10   set (VERSION_TINY "0")  
11  
12   # cmake modules that are needed to build oopse
13 < set (CMAKE_MODULE_PATH ${OpenMD_SOURCE_DIR}/cmake/modules)
13 > 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  
17   enable_language(CXX  C)
18  
17 –
19   if ( APPLE )
20   set(MPI_COMPILER /opt/local/lib/openmpi/bin/mpic++)
21   set(MPI_LIBRARY "MPI_LIBRARY-NOTFOUND" )
# Line 105 | Line 106 | check_function_exists(table HAVE_TABLE)
106   check_function_exists(table HAVE_TABLE)
107  
108  
109 + 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 ${PYTHON_EXECUTABLE})
119 + ELSE(PYTHON_EXECUTABLE)
120 +  MESSAGE(STATUS "Failed to find python")
121 + ENDIF(PYTHON_EXECUTABLE)
122 +
123 + SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations")
124 +
125 +
126   include(CMakePrintSystemInformation)
127  
128   configure_file (
# Line 117 | Line 135 | include_directories (${PROJECT_SOURCE_DIR}/src)
135  
136  
137   #Add executables for build
138 < set (PROGRAMS openmd openmd_MPI Dump2XYZ simpleBuilder StaticProps DynamicProps
139 < randomBuilder nanoparticleBuilder thermalizer atom2md Hydro)
140 < # Example of how to set core libraries
141 < #set(CORELIBS ${GLUT_LIBRARY} ${OPENGL_LIBRARY} m)
138 > 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  
151 < #Add subirectories for build
151 > 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  
334 < add_subdirectory(lib)
335 < add_subdirectory(bin)
334 > 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)

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