ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/CMakeLists.txt
Revision: 2065
Committed: Thu Mar 5 15:11:00 2015 UTC (10 years, 5 months ago) by gezelter
Content type: text/plain
File size: 30007 byte(s)
Log Message: 
Fixes for warning messages, added flags to help debugging.

File Contents

# Content
1 # Top level cmake script for OpenMD.
2 project(OpenMD CXX)
3 cmake_minimum_required(VERSION 2.8.5)
4
5 SET(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/modules")
6
7 if (NOT CMAKE_BUILD_TYPE)
8 set(CMAKE_BUILD_TYPE "Release")
9 endif()
10
11 IF(WIN32)
12 ADD_DEFINITIONS(/D _CRT_SECURE_NO_WARNINGS)
13 ENDIF(WIN32)
14
15 if (NOT NO_PARALLEL)
16 find_package(MPI)
17 if (NOT MPI_CXX_FOUND)
18 message(STATUS "========== OpenMD Parallel Information ==========")
19 message(STATUS )
20 message(STATUS "No MPI compiler found. Perhaps you want to set one explicitly?")
21 message(STATUS "To override the default compiler, set the environment variable")
22 message(STATUS " export CXX=/full/path/to/mpic++")
23 message(STATUS "in bash or ksh or sh. In csh or tcsh, use:")
24 message(STATUS " setenv CXX /full/path/to/mpic++")
25 message(STATUS "before running the cmake command.")
26 message(STATUS )
27 message(STATUS "=================================================")
28 endif()
29 IF ( MPI_CXX_FOUND )
30 INCLUDE_DIRECTORIES(${MPI_CXX_INCLUDE_PATH})
31 ENDIF()
32 endif()
33
34 include(CheckCXXCompilerFlag)
35 include(CheckIncludeFileCXX)
36 include(CheckCXXSymbolExists)
37
38 message(STATUS "Compiler flag = ${CMAKE_COMPILER_IS_GNUCXX}")
39 if ( CMAKE_COMPILER_IS_GNUCXX )
40 # set_property( TARGET main APPEND_STRING PROPERTY COMPILE_FLAGS -Wall )
41 add_definitions("-Wall")
42 endif ( CMAKE_COMPILER_IS_GNUCXX )
43 if ( MSVC )
44 # set_property( TARGET main APPEND_STRING PROPERTY COMPILE_FLAGS /W3 )
45 add_definitions("/W3")
46 endif ( MSVC )
47
48 # OpenMD version number.
49 set (VERSION_MAJOR "2")
50 set (VERSION_MINOR "3")
51 set (VERSION_TINY "0")
52 option(SINGLE_PRECISION "Build Single precision (float) version" OFF)
53
54 IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
55 IF(WIN32)
56 SET(CMAKE_INSTALL_PREFIX "C:/Program Files (x86)/openmd"
57 CACHE PATH "OpenMD install prefix" FORCE)
58 ELSE(WIN32)
59 SET(CMAKE_INSTALL_PREFIX "/usr/local/openmd"
60 CACHE PATH "OpenMD install prefix" FORCE)
61 ENDIF(WIN32)
62 ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
63 ADD_DEFINITIONS( -DFRC_PATH=${CMAKE_INSTALL_PREFIX}/forceFields )
64
65 # ---------- Setup output Directories -------------------------
66 SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY
67 ${PROJECT_BINARY_DIR}/lib
68 CACHE PATH
69 "Single directory for all shared libraries"
70 )
71 # --------- Setup the Executable output Directory -------------
72 SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY
73 ${PROJECT_BINARY_DIR}/bin
74 CACHE PATH
75 "Single directory for all Executables."
76 )
77 # --------- Setup the static library directory -------------
78 SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY
79 ${PROJECT_BINARY_DIR}/lib
80 CACHE PATH
81 "Single directory for all static libraries."
82 )
83
84 FIND_PACKAGE(Subversion)
85 IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn )
86 Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
87 MESSAGE(STATUS "Current revision is ${Project_WC_REVISION}")
88 Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project)
89 SET(SVN_REV ${Project_WC_REVISION})
90 SET(GENERATELOGS "${PROJECT_SOURCE_DIR}/doc/svn2cl")
91 ADD_CUSTOM_TARGET(ChangeLog
92 COMMAND ${GENERATELOGS} "--group-by-day" "--include-rev"
93 "--linelen=78" "--output=${PROJECT_BINARY_DIR}/ChangeLog" "${PROJECT_SOURCE_DIR}"
94 )
95 ELSE()
96 SET(SVN_REV Release)
97 ENDIF()
98
99 check_include_file_cxx(conio.h HAVE_CONIO_H)
100 check_cxx_symbol_exists(strncasecmp "string.h" HAVE_STRNCASECMP)
101
102 # Optional libraries: If we can find these, we will build with them
103 # Look for OpenBabel libraries
104 find_package(OpenBabel2)
105 IF(OPENBABEL2_FOUND)
106 SET(USE_OPENBABEL)
107 include_directories(${OPENBABEL2_INCLUDE_DIR})
108 # link libraries are added only for targets that need them.
109 ELSE(OPENBABEL2_FOUND)
110 MESSAGE(STATUS "No OpenBabel found - will not build atom2md")
111 ENDIF(OPENBABEL2_FOUND)
112
113 #Look for QHULL Libraries
114 find_package(Qhull)
115 IF(QHULL_FOUND)
116 SET(HAVE_QHULL 1)
117 include_directories(${QHULL_INCLUDE_DIR})
118 LINK_LIBRARIES(${QHULL_LIBRARIES})
119 ELSE(QHULL_FOUND)
120 MESSAGE(STATUS "No Qhull found - will be missing some features")
121 ENDIF(QHULL_FOUND)
122
123 # zlib stuff
124 find_package(ZLIB)
125 if(ZLIB_FOUND)
126 SET(HAVE_LIBZ 1)
127 add_definitions(-DHAVE_LIBZ)
128 include_directories(${ZLIB_INCLUDE_DIR})
129 LINK_LIBRARIES(${ZLIB_LIBRARIES})
130 ELSE(ZLIB_FOUND)
131 MESSAGE(STATUS "No zlib found - will be missing compressed dump files")
132 endif(ZLIB_FOUND)
133
134 #FFTW3
135 IF(SINGLE_PRECISION)
136 find_package(FFTW3 COMPONENTS single)
137 else()
138 find_package(FFTW3 COMPONENTS double)
139 endif(SINGLE_PRECISION)
140 if (FFTW3_FOUND)
141 include_directories (${CMAKE_SOURCE_DIR} ${CMAKE_BINARY_DIR} ${FFTW3_INCLUDE_DIR})
142 SET(HAVE_LIBFFTW 1)
143 SET(HAVE_FFTW3_H 1)
144 INCLUDE_DIRECTORIES(${FFTW3_INCLUDE_DIR})
145 LINK_LIBRARIES(${FFTW3_LIBRARIES})
146 ELSE(FFTW3_FOUND)
147 MESSAGE(STATUS "No fftw3 found - will be missing some analysis modules")
148 endif (FFTW3_FOUND)
149
150
151 # add a target to generate API documentation with Doxygen
152 find_package(Doxygen)
153 if(DOXYGEN_FOUND)
154 configure_file("${CMAKE_CURRENT_SOURCE_DIR}/doc/Doxyfile.in" "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile" @ONLY)
155 add_custom_target(doc
156 ${DOXYGEN_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile"
157 WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/doc"
158 COMMENT "Generating API documentation with Doxygen" VERBATIM
159 )
160 endif(DOXYGEN_FOUND)
161
162 FIND_PACKAGE(Perl)
163 IF(PERL_FOUND)
164 SET(PERL ${PERL_EXECUTABLE})
165 ELSE(PERL_FOUND)
166 MESSAGE(STATUS "Failed to find perl - some scripts will not be made")
167 ENDIF(PERL_FOUND)
168
169 SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation
170 locations")
171
172 FIND_PACKAGE(PythonInterp)
173 IF(PYTHON_EXECUTABLE)
174 SET(PYTHON ${PYTHON_EXECUTABLE})
175 ELSE(PYTHON_EXECUTABLE)
176 MESSAGE(STATUS "Failed to find python - some scripts will not be made")
177 ENDIF(PYTHON_EXECUTABLE)
178
179 FIND_PACKAGE(NumPy)
180 IF(NOT NUMPY_FOUND)
181 MESSAGE(STATUS "Failed to find NumPy - some scripts will not be made")
182 ENDIF(NOT NUMPY_FOUND)
183
184
185 configure_file (
186 "${PROJECT_SOURCE_DIR}/src/config.h.cmake"
187 "${PROJECT_BINARY_DIR}/config.h"
188 )
189 configure_file(
190 "${PROJECT_SOURCE_DIR}/src/utils/Revision.cpp.in"
191 "${PROJECT_BINARY_DIR}/Revision.cpp"
192 )
193
194 include_directories("${PROJECT_BINARY_DIR}" "${PROJECT_SOURCE_DIR}/src")
195
196 #Add executables for build
197 set (PROGRAMS
198 openmd
199 openmd_MPI
200 Dump2XYZ
201 simpleBuilder
202 StaticProps
203 DynamicProps
204 SequentialProps
205 randomBuilder
206 nanoparticleBuilder
207 thermalizer
208 recenter
209 atom2md
210 Hydro)
211
212 set(SOURCE
213 "${PROJECT_BINARY_DIR}/Revision.cpp"
214 src/antlr/ANTLRUtil.cpp
215 src/antlr/ASTFactory.cpp
216 src/antlr/ASTNULLType.cpp
217 src/antlr/ASTRefCount.cpp
218 src/antlr/BaseAST.cpp
219 src/antlr/BitSet.cpp
220 src/antlr/CommonAST.cpp
221 src/antlr/CommonASTWithHiddenTokens.cpp
222 src/antlr/CommonHiddenStreamToken.cpp
223 src/antlr/CommonToken.cpp
224 src/antlr/LLkParser.cpp
225 src/antlr/MismatchedCharException.cpp
226 src/antlr/MismatchedTokenException.cpp
227 src/antlr/NoViableAltException.cpp
228 src/antlr/NoViableAltForCharException.cpp
229 src/antlr/Parser.cpp
230 src/antlr/RecognitionException.cpp
231 src/antlr/String.cpp
232 src/antlr/Token.cpp
233 src/antlr/TokenRefCount.cpp
234 src/antlr/TokenStreamBasicFilter.cpp
235 src/antlr/TokenStreamHiddenTokenFilter.cpp
236 src/antlr/TokenStreamRewriteEngine.cpp
237 src/antlr/TokenStreamSelector.cpp
238 src/antlr/TreeParser.cpp
239 src/brains/BlockSnapshotManager.cpp
240 src/brains/DataStorage.cpp
241 src/brains/ForceField.cpp
242 src/brains/MoleculeCreator.cpp
243 src/brains/PairList.cpp
244 src/brains/Register.cpp
245 src/brains/SimSnapshotManager.cpp
246 src/brains/Snapshot.cpp
247 src/brains/Stats.cpp
248 src/constraints/Shake.cpp
249 src/constraints/Rattle.cpp
250 src/hydrodynamics/Ellipsoid.cpp
251 src/hydrodynamics/HydroProp.cpp
252 src/hydrodynamics/Sphere.cpp
253 src/integrators/DLM.cpp
254 src/flucq/FluctuatingChargeLangevin.cpp
255 src/flucq/FluctuatingChargeParameters.cpp
256 src/flucq/FluctuatingChargeNVT.cpp
257 src/flucq/FluctuatingChargePropagator.cpp
258 src/integrators/Integrator.cpp
259 src/integrators/IntegratorFactory.cpp
260 src/integrators/LangevinDynamics.cpp
261 src/integrators/LDForceManager.cpp
262 src/integrators/NgammaT.cpp
263 src/integrators/NPA.cpp
264 src/integrators/NPAT.cpp
265 src/integrators/NPrT.cpp
266 src/integrators/NPT.cpp
267 src/integrators/NPTf.cpp
268 src/integrators/NPTi.cpp
269 src/integrators/NPTsz.cpp
270 src/integrators/NPTxyz.cpp
271 src/integrators/NVE.cpp
272 src/integrators/NVT.cpp
273 src/integrators/VelocityVerletIntegrator.cpp
274 src/io/AtomTypesSectionParser.cpp
275 src/io/BaseAtomTypesSectionParser.cpp
276 src/io/BendTypesSectionParser.cpp
277 src/io/BondTypesSectionParser.cpp
278 src/io/ChargeAtomTypesSectionParser.cpp
279 src/io/DirectionalAtomTypesSectionParser.cpp
280 src/io/EAMAtomTypesSectionParser.cpp
281 src/io/FluctuatingChargeAtomTypesSectionParser.cpp
282 src/io/ForceFieldOptions.cpp
283 src/io/GayBerneAtomTypesSectionParser.cpp
284 src/io/Globals.cpp
285 src/io/InversionTypesSectionParser.cpp
286 src/io/LennardJonesAtomTypesSectionParser.cpp
287 src/io/MultipoleAtomTypesSectionParser.cpp
288 src/io/NonBondedInteractionsSectionParser.cpp
289 src/io/OptionSectionParser.cpp
290 src/io/ParamConstraint.cpp
291 src/io/PolarizableAtomTypesSectionParser.cpp
292 src/io/SCAtomTypesSectionParser.cpp
293 src/io/SectionParser.cpp
294 src/io/SectionParserManager.cpp
295 src/io/ShapeAtomTypesSectionParser.cpp
296 src/io/StickyAtomTypesSectionParser.cpp
297 src/io/StickyPowerAtomTypesSectionParser.cpp
298 src/io/TorsionTypesSectionParser.cpp
299 src/io/ZConsReader.cpp
300 src/lattice/CubicLattice.cpp
301 src/lattice/FCCLattice.cpp
302 src/lattice/Lattice.cpp
303 src/lattice/LatticeFactory.cpp
304 src/lattice/shapedLattice.cpp
305 src/math/ChebyshevT.cpp
306 src/math/ChebyshevU.cpp
307 src/math/CubicSpline.cpp
308 src/math/LegendrePolynomial.cpp
309 src/math/RealSphericalHarmonic.cpp
310 src/math/RMSD.cpp
311 src/math/SeqRandNumGen.cpp
312 src/math/SphericalHarmonic.cpp
313 src/math/Wigner3jm.cpp
314 src/mdParser/FilenameObserver.cpp
315 src/optimization/OptimizationFactory.cpp
316 src/optimization/Armijo.cpp
317 src/optimization/BFGS.cpp
318 src/optimization/ConjugateGradient.cpp
319 src/optimization/Constraint.cpp
320 src/optimization/EndCriteria.cpp
321 src/optimization/LineSearch.cpp
322 src/optimization/LineSearchBasedMethod.cpp
323 src/optimization/SteepestDescent.cpp
324 src/optimization/PotentialEnergyObjectiveFunction.cpp
325 src/optimization/MinimizerParameters.cpp
326 src/nonbonded/EAM.cpp
327 src/nonbonded/GB.cpp
328 src/nonbonded/InteractionManager.cpp
329 src/nonbonded/LJ.cpp
330 src/nonbonded/MAW.cpp
331 src/nonbonded/Morse.cpp
332 src/nonbonded/RepulsivePower.cpp
333 src/nonbonded/SC.cpp
334 src/nonbonded/Sticky.cpp
335 src/nonbonded/SwitchingFunction.cpp
336 src/primitives/Atom.cpp
337 src/primitives/Bend.cpp
338 src/primitives/DirectionalAtom.cpp
339 src/primitives/GhostBend.cpp
340 src/primitives/GhostTorsion.cpp
341 src/primitives/Inversion.cpp
342 src/primitives/Molecule.cpp
343 src/primitives/RigidBody.cpp
344 src/primitives/StuntDouble.cpp
345 src/primitives/ShortRangeInteraction.cpp
346 src/primitives/Torsion.cpp
347 src/primitives/UreyBradleyBend.cpp
348 src/perturbations/UniformField.cpp
349 src/perturbations/UniformGradient.cpp
350 src/restraints/MolecularRestraint.cpp
351 src/restraints/ObjectRestraint.cpp
352 src/selection/HullFinder.cpp
353 src/selection/IndexFinder.cpp
354 src/selection/NameFinder.cpp
355 src/selection/SelectionCompiler.cpp
356 src/selection/SelectionEvaluator.cpp
357 src/selection/SelectionManager.cpp
358 src/selection/SelectionToken.cpp
359 src/selection/TokenMap.cpp
360 src/selection/SelectionSet.cpp
361 src/types/AtomStamp.cpp
362 src/types/AtomType.cpp
363 src/types/BendStamp.cpp
364 src/types/BendTypeParser.cpp
365 src/types/BondStamp.cpp
366 src/types/BondTypeParser.cpp
367 src/types/CharmmTorsionType.cpp
368 src/types/Component.cpp
369 src/types/ConstraintStamp.cpp
370 src/types/CutoffGroupStamp.cpp
371 src/types/DirectionalAdapter.cpp
372 src/types/EAMAdapter.cpp
373 src/types/FixedChargeAdapter.cpp
374 src/types/FluctuatingChargeAdapter.cpp
375 src/types/FragmentStamp.cpp
376 src/types/GayBerneAdapter.cpp
377 src/types/ImproperCosineInversionType.cpp
378 src/types/InversionStamp.cpp
379 src/types/InversionTypeParser.cpp
380 src/types/LennardJonesAdapter.cpp
381 src/types/MoleculeStamp.cpp
382 src/types/MultipoleAdapter.cpp
383 src/types/NonBondedInteractionType.cpp
384 src/types/PolarizableAdapter.cpp
385 src/types/RestraintStamp.cpp
386 src/types/RigidBodyStamp.cpp
387 src/types/ShapeAtomType.cpp
388 src/types/StickyAdapter.cpp
389 src/types/SuttonChenAdapter.cpp
390 src/types/TorsionStamp.cpp
391 src/types/TorsionTypeParser.cpp
392 src/types/ZconsStamp.cpp
393 src/utils/ElementsTable.cpp
394 src/utils/MoLocator.cpp
395 src/utils/PropertyMap.cpp
396 src/utils/StringTokenizer.cpp
397 src/utils/StringUtils.cpp
398 src/utils/Trim.cpp
399 src/utils/Utility.cpp
400 src/utils/wildcards.cpp
401 src/visitors/AtomNameVisitor.cpp
402 src/visitors/AtomVisitor.cpp
403 src/visitors/CompositeVisitor.cpp
404 src/visitors/LipidTransVisitor.cpp
405 src/visitors/OtherVisitor.cpp
406 src/visitors/ReplacementVisitor.cpp
407 src/visitors/RigidBodyVisitor.cpp
408 src/visitors/ZconsVisitor.cpp
409 src/rnemd/RNEMDParameters.cpp
410 src/clusters/Icosahedron.cpp
411 src/clusters/Decahedron.cpp
412 )
413
414 set( PARALLEL_SOURCE
415 src/antlr/CharBuffer.cpp
416 src/antlr/CharScanner.cpp
417 src/antlr/InputBuffer.cpp
418 src/antlr/TokenBuffer.cpp
419 src/mdParser/MDLexer.cpp
420 src/mdParser/MDParser.cpp
421 src/mdParser/MDTreeParser.cpp
422 src/brains/ForceManager.cpp
423 src/brains/SimCreator.cpp
424 src/brains/SimInfo.cpp
425 src/brains/Thermo.cpp
426 src/constraints/ZconstraintForceManager.cpp
427 src/flucq/FluctuatingChargeConstraints.cpp
428 src/flucq/FluctuatingChargeObjectiveFunction.cpp
429 src/flucq/FluctuatingChargeForces.cpp
430 src/integrators/LangevinHullForceManager.cpp
431 src/rnemd/RNEMD.cpp
432 src/integrators/Velocitizer.cpp
433 src/io/ConstraintWriter.cpp
434 src/io/DumpReader.cpp
435 src/io/DumpWriter.cpp
436 src/io/RestReader.cpp
437 src/io/RestWriter.cpp
438 src/io/StatWriter.cpp
439 src/io/ZConsWriter.cpp
440 src/io/ifstrstream.cpp
441 src/math/ParallelRandNumGen.cpp
442 src/nonbonded/Electrostatic.cpp
443 src/parallel/ForceDecomposition.cpp
444 src/parallel/ForceMatrixDecomposition.cpp
445 src/restraints/RestraintForceManager.cpp
446 src/restraints/ThermoIntegrationForceManager.cpp
447 src/selection/DistanceFinder.cpp
448 src/utils/ProgressBar.cpp
449 src/utils/simError.cpp
450 src/utils/OpenMDBitSet.cpp
451 src/optimization/Problem.cpp
452 )
453
454 IF(ZLIB_FOUND)
455 set(ZLIB_SOURCE
456 src/io/gzstream.cpp
457 )
458 ENDIF(ZLIB_FOUND)
459
460 IF(QHULL_FOUND)
461 set(QHULL_SOURCE
462 src/integrators/LangevinHullDynamics.cpp
463 src/math/Triangle.cpp
464 )
465 set(QHULL_PARALLEL_SOURCE
466 src/integrators/LangevinHullForceManager.cpp
467 src/math/ConvexHull.cpp
468 src/math/AlphaHull.cpp
469 )
470 ENDIF(QHULL_FOUND)
471
472 IF(WIN32)
473 set(GETOPT_SOURCE
474 src/utils/wingetopt.cpp
475 )
476 ENDIF(WIN32)
477
478 add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ${ZLIB_SOURCE} )
479 add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
480
481 IF(MPI_FOUND)
482 add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
483 set_target_properties(openmd_parallel PROPERTIES
484 COMPILE_DEFINITIONS IS_MPI
485 )
486 ENDIF(MPI_FOUND)
487
488 add_executable(openmd src/applications/openmd/openmd.cpp)
489 target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core)
490
491 if (MPI_FOUND)
492 add_executable(openmd_MPI src/applications/openmd/openmd.cpp)
493 set_target_properties(openmd_MPI PROPERTIES
494 COMPILE_DEFINITIONS IS_MPI
495 )
496 target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
497 INSTALL(TARGETS
498 openmd_parallel openmd_MPI
499 RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
500 LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
501 ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
502 )
503 ENDIF (MPI_FOUND)
504
505 set (DUMP2XYZSOURCE
506 src/applications/dump2Xyz/Dump2XYZ.cpp
507 src/applications/dump2Xyz/Dump2XYZCmd.cpp
508 )
509
510 set (DYNAMICPROPSSOURCE
511 src/applications/dynamicProps/ActionCorrFunc.cpp
512 src/applications/dynamicProps/CrossTimeCorrFunc.cpp
513 src/applications/dynamicProps/DipoleCorrFunc.cpp
514 src/applications/dynamicProps/DirectionalRCorrFunc.cpp
515 src/applications/dynamicProps/DynamicProps.cpp
516 src/applications/dynamicProps/EnergyCorrFunc.cpp
517 src/applications/dynamicProps/FrameTimeCorrFunc.cpp
518 src/applications/dynamicProps/FreqFlucCorrFunc.cpp
519 src/applications/dynamicProps/LegendreCorrFunc.cpp
520 src/applications/dynamicProps/LegendreCorrFuncZ.cpp
521 src/applications/dynamicProps/cOHz.cpp
522 src/applications/dynamicProps/MomentumCorrFunc.cpp
523 src/applications/dynamicProps/MultipassCorrFunc.cpp
524 src/applications/dynamicProps/ParticleTimeCorrFunc.cpp
525 src/applications/dynamicProps/InteractionTimeCorrFunc.cpp
526 src/applications/dynamicProps/RadialRCorrFunc.cpp
527 src/applications/dynamicProps/RCorrFunc.cpp
528 src/applications/dynamicProps/SelectionCorrFunc.cpp
529 src/applications/dynamicProps/StressCorrFunc.cpp
530 src/applications/dynamicProps/SystemDipoleCorrFunc.cpp
531 src/applications/dynamicProps/ThetaCorrFunc.cpp
532 src/applications/dynamicProps/TimeCorrFunc.cpp
533 src/applications/dynamicProps/VCorrFunc.cpp
534 src/applications/dynamicProps/BondCorrFunc.cpp
535 src/applications/dynamicProps/DynamicPropsCmd.cpp
536 )
537
538 set (HYDROSOURCE
539 src/applications/hydrodynamics/AnalyticalModel.cpp
540 src/applications/hydrodynamics/ApproximationModel.cpp
541 src/applications/hydrodynamics/BeadModel.cpp
542 src/applications/hydrodynamics/CompositeShape.cpp
543 src/applications/hydrodynamics/Hydro.cpp
544 src/applications/hydrodynamics/HydrodynamicsModel.cpp
545 src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
546 src/applications/hydrodynamics/RoughShell.cpp
547 src/applications/hydrodynamics/ShapeBuilder.cpp
548 src/applications/hydrodynamics/HydroCmd.cpp
549 )
550
551 set (SEQUENTIALPROPSSOURCE
552 src/applications/sequentialProps/CenterOfMass.cpp
553 src/applications/sequentialProps/ContactAngle1.cpp
554 src/applications/sequentialProps/ContactAngle2.cpp
555 src/applications/sequentialProps/SequentialAnalyzer.cpp
556 src/applications/sequentialProps/SequentialProps.cpp
557 src/applications/sequentialProps/SequentialPropsCmd.cpp
558 )
559
560 set (STATICPROPSSOURCE
561 src/applications/staticProps/AngleR.cpp
562 src/applications/staticProps/BondAngleDistribution.cpp
563 src/applications/staticProps/BondOrderParameter.cpp
564 src/applications/staticProps/BOPofR.cpp
565 src/applications/staticProps/DensityPlot.cpp
566 src/applications/staticProps/GofAngle2.cpp
567 src/applications/staticProps/GofR.cpp
568 src/applications/staticProps/GofRAngle.cpp
569 src/applications/staticProps/GofRZ.cpp
570 src/applications/staticProps/GofXyz.cpp
571 src/applications/staticProps/GofZ.cpp
572 src/applications/staticProps/Hxy.cpp
573 src/applications/staticProps/HBondGeometric.cpp
574 src/applications/staticProps/MultipoleSum.cpp
575 src/applications/staticProps/NanoLength.cpp
576 src/applications/staticProps/NanoVolume.cpp
577 src/applications/staticProps/NitrileFrequencyMap.cpp
578 src/applications/staticProps/ObjectCount.cpp
579 src/applications/staticProps/P2OrderParameter.cpp
580 src/applications/staticProps/pAngle.cpp
581 src/applications/staticProps/RadialDistrFunc.cpp
582 src/applications/staticProps/RhoR.cpp
583 src/applications/staticProps/RhoZ.cpp
584 src/applications/staticProps/RippleOP.cpp
585 src/applications/staticProps/RNEMDStats.cpp
586 src/applications/staticProps/SCDOrderParameter.cpp
587 src/applications/staticProps/SpatialStatistics.cpp
588 src/applications/staticProps/StaticProps.cpp
589 src/applications/staticProps/SurfaceDiffusion.cpp
590 src/applications/staticProps/TetrahedralityParam.cpp
591 src/applications/staticProps/TetrahedralityParamZ.cpp
592 src/applications/staticProps/TetrahedralityParamXYZ.cpp
593 src/applications/staticProps/TwoDGofR.cpp
594 src/applications/staticProps/StaticPropsCmd.cpp
595 )
596
597 set (NANOPARTICLEBUILDERSOURCE
598 src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
599 src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
600 src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.cpp
601 )
602
603 set (NANORODBUILDERSOURCE
604 src/applications/nanoparticleBuilder/nanorodBuilder.cpp
605 src/applications/nanoparticleBuilder/shapedLatticeRod.cpp
606 src/applications/nanoparticleBuilder/shapedLatticeEllipsoid.cpp
607 src/applications/nanoparticleBuilder/nanorodBuilderCmd.cpp
608 )
609
610 set (NANOROD_PENTBUILDERSOURCE
611 src/applications/nanoparticleBuilder/nanorod_pentBuilder.cpp
612 src/applications/nanoparticleBuilder/nanorod_pentBuilderCmd.cpp
613 src/applications/nanoparticleBuilder/shapedLatticePentRod.cpp
614 )
615
616 set (ICOSAHEDRALBUILDERSOURCE
617 src/applications/nanoparticleBuilder/icosahedralBuilder.cpp
618 src/applications/nanoparticleBuilder/icosahedralBuilderCmd.cpp
619 )
620
621 set (RANDOMBUILDERSOURCE
622 src/applications/randomBuilder/randomBuilder.cpp
623 src/applications/randomBuilder/randomBuilderCmd.cpp
624 )
625
626 set(SIMPLEBUILDERSOURCE
627 src/applications/simpleBuilder/simpleBuilder.cpp
628 src/applications/simpleBuilder/simpleBuilderCmd.cpp
629 )
630
631 set(THERMALIZERSOURCE
632 src/applications/thermalizer/thermalizer.cpp
633 src/applications/thermalizer/thermalizerCmd.cpp
634 )
635
636 set(RECENTERSOURCE
637 src/applications/recenter/recenter.cpp
638 src/applications/recenter/recenterCmd.cpp
639 )
640
641 add_executable(Dump2XYZ ${DUMP2XYZSOURCE} ${GETOPT_SOURCE})
642 target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core)
643 add_executable(DynamicProps ${DYNAMICPROPSSOURCE} ${GETOPT_SOURCE})
644 target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core)
645 add_executable(Hydro ${HYDROSOURCE} ${GETOPT_SOURCE})
646 target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core)
647 add_executable(StaticProps ${STATICPROPSSOURCE} ${GETOPT_SOURCE})
648 target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core)
649 add_executable(SequentialProps ${SEQUENTIALPROPSSOURCE} ${GETOPT_SOURCE})
650 target_link_libraries(SequentialProps openmd_single openmd_core openmd_single openmd_core)
651 add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE} ${GETOPT_SOURCE})
652 target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
653 add_executable(nanorodBuilder ${NANORODBUILDERSOURCE} ${GETOPT_SOURCE})
654 target_link_libraries(nanorodBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
655 add_executable(nanorod_pentBuilder ${NANOROD_PENTBUILDERSOURCE} ${GETOPT_SOURCE})
656 target_link_libraries(nanorod_pentBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
657 add_executable(icosahedralBuilder ${ICOSAHEDRALBUILDERSOURCE} ${GETOPT_SOURCE})
658 target_link_libraries(icosahedralBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
659 add_executable(randomBuilder ${RANDOMBUILDERSOURCE} ${GETOPT_SOURCE})
660 target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
661 add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE} ${GETOPT_SOURCE})
662 target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
663 add_executable(thermalizer ${THERMALIZERSOURCE} ${GETOPT_SOURCE})
664 target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core openmd_single)
665 add_executable(recenter ${RECENTERSOURCE} ${GETOPT_SOURCE})
666 target_link_libraries(recenter openmd_single openmd_core openmd_single openmd_core openmd_single)
667
668 if (OPENBABEL2_FOUND)
669 set (ATOM2MDSOURCE
670 src/applications/atom2md/atom2md.cpp
671 src/applications/atom2md/openmdformat.cpp
672 )
673 add_executable(atom2md ${ATOM2MDSOURCE} ${GETOPT_SOURCE})
674 target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
675 INSTALL(TARGETS atom2md RUNTIME DESTINATION bin
676 PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
677 ENDIF (OPENBABEL2_FOUND)
678
679
680 set(PYNONUMPY_FILES
681 src/applications/hydrodynamics/diffExplainer
682 src/applications/utilities/affineScale
683 src/applications/utilities/dumpConverter
684 src/applications/utilities/md-solvator
685 src/applications/utilities/md2md
686 src/applications/utilities/mdSplit
687 src/applications/utilities/mdShrink
688 src/applications/utilities/stat2thcond
689 src/applications/utilities/stat2visco
690 src/applications/utilities/stat2dielectric
691 src/applications/utilities/waterRotator
692 )
693
694 set(PYNUMPY_FILES
695 src/applications/utilities/pack2md
696 src/applications/utilities/principalAxisCalculator
697 src/applications/utilities/vcorr2spectrum
698 src/applications/utilities/waterReplacer
699 )
700
701 IF(NUMPY_FOUND)
702 set(PY_FILES ${PYNONUMPY_FILES} ${PYNUMPY_FILES})
703 ELSE(NUMPY_FOUND)
704 set(PY_FILES ${PYNONUMPY_FILES})
705 ENDIF(NUMPY_FOUND)
706
707 IF(PYTHON_EXECUTABLE)
708 IF(WIN32)
709 SET(PYEXT ".py")
710 ELSE(WIN32)
711 SET(PYEXT "")
712 ENDIF(WIN32)
713
714 foreach(PY_FILE ${PY_FILES})
715 GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME)
716 CONFIGURE_FILE(${PY_FILE}
717 "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}" @ONLY)
718 INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}"
719 DESTINATION bin
720 PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
721 endforeach(PY_FILE)
722 ENDIF(PYTHON_EXECUTABLE)
723
724 set(PERL_FILES
725 src/applications/utilities/solvator
726 src/applications/utilities/waterBoxer
727 )
728
729 IF(PERL_FOUND)
730 IF(WIN32)
731 SET(PLEXT ".PL")
732 ELSE(WIN32)
733 SET(PLEXT "")
734 ENDIF(WIN32)
735
736 foreach(PERL_FILE ${PERL_FILES})
737 GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME)
738 configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}" @ONLY)
739 INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}"
740 DESTINATION bin
741 PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
742
743 endforeach(PERL_FILE)
744 ENDIF(PERL_FOUND)
745
746
747 INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION .
748 PERMISSIONS OWNER_READ GROUP_READ WORLD_READ)
749 INSTALL(TARGETS
750 openmd_core
751 openmd_single
752 openmd
753 Dump2XYZ
754 simpleBuilder
755 StaticProps
756 DynamicProps
757 SequentialProps
758 randomBuilder
759 nanoparticleBuilder
760 nanorodBuilder
761 nanorod_pentBuilder
762 icosahedralBuilder
763 thermalizer
764 recenter
765 Hydro
766 RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
767 LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
768 ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
769 )
770
771 install(DIRECTORY forceFields/
772 DESTINATION forceFields
773 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
774 PATTERN ".svn" EXCLUDE
775 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
776 install(DIRECTORY samples/
777 DESTINATION samples
778 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
779 PATTERN ".svn" EXCLUDE
780 PATTERN "*.dump" EXCLUDE
781 PATTERN "*.stat" EXCLUDE
782 PATTERN "*.eor" EXCLUDE
783 PATTERN "*.rnemd" EXCLUDE
784 PATTERN "*.fz" EXCLUDE
785 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
786
787 configure_file( samples/builders/runMe.in
788 "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe" @ONLY)
789 INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe"
790 DESTINATION samples/builders
791 PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
792
793
794 INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf"
795 DESTINATION doc
796 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
797
798 message( STATUS)
799 message( STATUS "========== OpenMD Build Information ==========")
800 message( STATUS "Current revision ........... = ${SVN_REV}")
801 message( STATUS "CMAKE_SYSTEM ............... = ${CMAKE_SYSTEM}")
802 message( STATUS "==============================================")
803 message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}")
804 message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}")
805 message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}")
806 message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}")
807 message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}")
808 message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}")
809 message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}")
810 message( STATUS "OPENBABEL2_ROOT ............ = ${OPENBABEL2_ROOT}")
811 message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}")
812 message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}")
813 message( STATUS "QHULL_ROOT ................. = ${QHULL_ROOT}")
814 message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}")
815 message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}")
816 message( STATUS "ZLIB_ROOT .................. = ${ZLIB_ROOT}")
817 message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}")
818 message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}")
819 message( STATUS "FFTW3_ROOT ................. = ${FFTW3_ROOT}")
820 message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}")
821 message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}")
822 message( STATUS "PERL_EXECUTABLE ............ = ${PERL_EXECUTABLE}")
823 message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON_EXECUTABLE}")
824 message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}")
825 message( STATUS )
826 message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command" )
827 message( STATUS "Particularly useful defines are for:")
828 message( STATUS )
829 message( STATUS " -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} (where OpenMD will be installed)")
830 message( STATUS " -DOPENBABEL2_ROOT=/path/to/openbabel")
831 message( STATUS " -DQHULL_ROOT=/path/to/qhull")
832 message( STATUS " -DFFTW3_ROOT=/path/to/fftw3")
833 message( STATUS )
834 IF(WIN32)
835 message( STATUS "To build and install OpenMD, enter: ")
836 message( STATUS " msbuild /m ALL_BUILD.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
837 message( STATUS "followed by:")
838 message( STATUS " msbuild /m INSTALL.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
839 ELSE(WIN32)
840 message( STATUS "To build and install OpenMD, enter \"make\" and \"make install\"")
841 ENDIF(WIN32)
842 message( STATUS )
843
844 # build a CPack driven installer package
845 IF(NOT DEFINED CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS)
846 SET(CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS ON)
847 ENDIF()
848 include (InstallRequiredSystemLibraries)
849 set (CPACK_RESOURCE_FILE_LICENSE
850 "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
851 set (CPACK_PACKAGE_VERSION_MAJOR "${VERSION_MAJOR}")
852 set (CPACK_PACKAGE_VERSION_MINOR "${VERSION_MINOR}")
853 include (CPack)