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root/OpenMD/branches/development/CMakeLists.txt
Revision: 1803
Committed: Wed Oct 3 14:20:07 2012 UTC (12 years, 7 months ago) by gezelter
Content type: text/plain
File size: 25863 byte(s)
Log Message: 
Merging trunk changes back to development branch

File Contents

# User Rev Content
1 chuckv 1466 # Top level cmake script for OpenMD.
2 gezelter 1694 project(OpenMD CXX)
3     cmake_minimum_required(VERSION 2.8.5)
4 chuckv 1466
5 gezelter 1668 SET(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/modules")
6    
7     if (NOT CMAKE_BUILD_TYPE)
8     set(CMAKE_BUILD_TYPE "Release")
9     endif()
10    
11 gezelter 1767 IF(WIN32)
12     ADD_DEFINITIONS(/D _CRT_SECURE_NO_WARNINGS)
13     ENDIF(WIN32)
14    
15 gezelter 1694 find_package(MPI)
16     if (NOT MPI_CXX_FOUND)
17     message(STATUS "========== OpenMD Parallel Information ==========")
18     message(STATUS )
19     message(STATUS "No MPI compiler found. Perhaps you want to set one explicitly?")
20     message(STATUS "To override the default compiler, set the environment variable")
21     message(STATUS " export CXX=/full/path/to/mpic++")
22     message(STATUS "in bash or ksh or sh. In csh or tcsh, use:")
23     message(STATUS " setenv CXX /full/path/to/mpic++")
24     message(STATUS "before running the cmake command.")
25     message(STATUS )
26     message(STATUS "=================================================")
27     endif()
28     IF ( MPI_CXX_FOUND )
29     INCLUDE_DIRECTORIES(${MPI_CXX_INCLUDE_PATH})
30     ENDIF()
31    
32 gezelter 1668 include(CheckCXXCompilerFlag)
33 gezelter 1694 include(CheckIncludeFileCXX)
34     include(CheckCXXSymbolExists)
35 gezelter 1668
36 chuckv 1466 # OpenMD version number.
37 chuckv 1496 set (VERSION_MAJOR "2")
38     set (VERSION_MINOR "0")
39     set (VERSION_TINY "0")
40 gezelter 1668 option(SINGLE_PRECISION "Build Single precision (float) version" OFF)
41    
42 gezelter 1647 IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
43     SET(CMAKE_INSTALL_PREFIX
44     "/usr/local/openmd" CACHE PATH "OpenMD install prefix" FORCE
45     )
46     ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
47 chuckv 1466
48 gezelter 1647 # ---------- Setup output Directories -------------------------
49     SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY
50     ${PROJECT_BINARY_DIR}/lib
51     CACHE PATH
52     "Single directory for all shared libraries"
53     )
54     # --------- Setup the Executable output Directory -------------
55     SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY
56     ${PROJECT_BINARY_DIR}/bin
57     CACHE PATH
58     "Single directory for all Executables."
59     )
60     # --------- Setup the static library directory -------------
61     SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY
62     ${PROJECT_BINARY_DIR}/lib
63     CACHE PATH
64     "Single directory for all static libraries."
65     )
66    
67 gezelter 1636 FIND_PACKAGE(Subversion)
68     IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn )
69     Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
70 gezelter 1694 MESSAGE(STATUS "Current revision is ${Project_WC_REVISION}")
71 gezelter 1636 Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project)
72     SET(SVN_REV ${Project_WC_REVISION})
73     ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} )
74 gezelter 1652 SET(GENERATELOGS "${PROJECT_SOURCE_DIR}/doc/svn2cl")
75     ADD_CUSTOM_TARGET(ChangeLog
76     COMMAND ${GENERATELOGS} "--group-by-day" "--include-rev"
77     "--linelen=78" "--output=${PROJECT_BINARY_DIR}/ChangeLog" "${PROJECT_SOURCE_DIR}"
78     )
79 gezelter 1636 ENDIF()
80    
81 gezelter 1694 check_include_file_cxx(conio.h HAVE_CONIO_H)
82     check_cxx_symbol_exists(strncasecmp "string.h" HAVE_STRNCASECMP)
83 gezelter 1668
84 chuckv 1466 # Optional libraries: If we can find these, we will build with them
85     # Look for OpenBabel libraries
86 chuckv 1496 find_package(OpenBabel2)
87     IF(OPENBABEL2_FOUND)
88     SET(USE_OPENBABEL)
89     include_directories(${OPENBABEL2_INCLUDE_DIR})
90 gezelter 1694 # link libraries are added only for targets that need them.
91 gezelter 1695 ELSE(OPENBABEL2_FOUND)
92 gezelter 1705 MESSAGE(STATUS "No OpenBabel found - will not build atom2md")
93 chuckv 1496 ENDIF(OPENBABEL2_FOUND)
94    
95 gezelter 1743 find_package(Eigen3)
96     if(EIGEN3_FOUND)
97     add_definitions(-DHAVE_EIGEN -DHAVE_EIGEN3)
98     include_directories(${EIGEN3_INCLUDE_DIR})
99     else()
100     find_package(Eigen2) # find and setup Eigen2
101     if(EIGEN2_FOUND)
102     add_definitions (-DHAVE_EIGEN)
103     include_directories(${EIGEN2_INCLUDE_DIR})
104     endif()
105     endif()
106    
107 chuckv 1466 #Look for QHULL Libraries
108 gezelter 1707 set(QHULL_USE_STATIC 1)
109 gezelter 1694 find_package(Qhull)
110 chuckv 1496 IF(QHULL_FOUND)
111     SET(HAVE_QHULL 1)
112 chuckv 1500 include_directories(${QHULL_INCLUDE_DIR})
113 chuckv 1496 LINK_LIBRARIES(${QHULL_LIBRARIES})
114 gezelter 1695 ELSE(QHULL_FOUND)
115 gezelter 1705 MESSAGE(STATUS "No Qhull found - will be missing some features")
116 chuckv 1496 ENDIF(QHULL_FOUND)
117 chuckv 1466
118 chuckv 1496 # zlib stuff
119     find_package(ZLIB)
120     if(ZLIB_FOUND)
121     SET(HAVE_LIBZ 1)
122     add_definitions(-DHAVE_LIBZ)
123     include_directories(${ZLIB_INCLUDE_DIR})
124     LINK_LIBRARIES(${ZLIB_LIBRARIES})
125 gezelter 1695 ELSE(ZLIB_FOUND)
126 gezelter 1705 MESSAGE(STATUS "No zlib found - will be missing compressed dump files")
127 chuckv 1496 endif(ZLIB_FOUND)
128    
129 gezelter 1695 #FFTW3
130 gezelter 1694 IF(SINGLE_PRECISION)
131     find_package(FFTW3 COMPONENTS single)
132     else()
133     find_package(FFTW3 COMPONENTS double)
134     endif(SINGLE_PRECISION)
135     if (FFTW3_FOUND)
136     include_directories (${CMAKE_SOURCE_DIR} ${CMAKE_BINARY_DIR} ${FFTW3_INCLUDE_DIR})
137 chuckv 1496 SET(HAVE_LIBFFTW 1)
138 gezelter 1668 SET(HAVE_FFTW3_H 1)
139 gezelter 1694 INCLUDE_DIRECTORIES(${FFTW3_INCLUDE_DIR})
140     LINK_LIBRARIES(${FFTW3_LIBRARIES})
141 gezelter 1695 ELSE(FFTW3_FOUND)
142 gezelter 1705 MESSAGE(STATUS "No fftw3 found - will be missing some analysis modules")
143 gezelter 1694 endif (FFTW3_FOUND)
144 chuckv 1496
145 gezelter 1694
146 gezelter 1651 # add a target to generate API documentation with Doxygen
147     find_package(Doxygen)
148     if(DOXYGEN_FOUND)
149     configure_file("${CMAKE_CURRENT_SOURCE_DIR}/doc/Doxyfile.in" "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile" @ONLY)
150     add_custom_target(doc
151     ${DOXYGEN_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile"
152     WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/doc"
153     COMMENT "Generating API documentation with Doxygen" VERBATIM
154     )
155     endif(DOXYGEN_FOUND)
156 chuckv 1496
157 gezelter 1639 FIND_PACKAGE(Perl)
158     IF(PERL_FOUND)
159     SET(PERL ${PERL_EXECUTABLE})
160     ELSE(PERL_FOUND)
161 gezelter 1695 MESSAGE(STATUS "Failed to find perl - some scripts will not be made")
162 gezelter 1639 ENDIF(PERL_FOUND)
163    
164 gezelter 1695 SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation
165     locations")
166    
167 gezelter 1639 FIND_PACKAGE(PythonInterp)
168     IF(PYTHON_EXECUTABLE)
169     SET(PYTHON ${PYTHON_EXECUTABLE})
170     ELSE(PYTHON_EXECUTABLE)
171 gezelter 1695 MESSAGE(STATUS "Failed to find python - some scripts will not be made")
172 gezelter 1639 ENDIF(PYTHON_EXECUTABLE)
173    
174 chuckv 1496 configure_file (
175     "${PROJECT_SOURCE_DIR}/src/config.h.cmake"
176 gezelter 1655 "${PROJECT_BINARY_DIR}/config.h"
177     )
178     include_directories("${PROJECT_BINARY_DIR}" "${PROJECT_SOURCE_DIR}/src")
179 chuckv 1496
180 chuckv 1466 #Add executables for build
181 gezelter 1639 set (PROGRAMS
182     openmd
183     openmd_MPI
184     Dump2XYZ
185     simpleBuilder
186     StaticProps
187     DynamicProps
188     randomBuilder
189     nanoparticleBuilder
190     thermalizer
191     atom2md
192     Hydro)
193 chuckv 1466
194 gezelter 1639 set(SOURCE
195     src/antlr/ANTLRUtil.cpp
196     src/antlr/ASTFactory.cpp
197     src/antlr/ASTNULLType.cpp
198     src/antlr/ASTRefCount.cpp
199     src/antlr/BaseAST.cpp
200     src/antlr/BitSet.cpp
201     src/antlr/CharBuffer.cpp
202     src/antlr/CharScanner.cpp
203     src/antlr/CommonAST.cpp
204     src/antlr/CommonASTWithHiddenTokens.cpp
205     src/antlr/CommonHiddenStreamToken.cpp
206     src/antlr/CommonToken.cpp
207     src/antlr/InputBuffer.cpp
208     src/antlr/LLkParser.cpp
209     src/antlr/MismatchedCharException.cpp
210     src/antlr/MismatchedTokenException.cpp
211     src/antlr/NoViableAltException.cpp
212     src/antlr/NoViableAltForCharException.cpp
213     src/antlr/Parser.cpp
214     src/antlr/RecognitionException.cpp
215     src/antlr/String.cpp
216     src/antlr/Token.cpp
217     src/antlr/TokenBuffer.cpp
218     src/antlr/TokenRefCount.cpp
219     src/antlr/TokenStreamBasicFilter.cpp
220     src/antlr/TokenStreamHiddenTokenFilter.cpp
221     src/antlr/TokenStreamRewriteEngine.cpp
222     src/antlr/TokenStreamSelector.cpp
223     src/antlr/TreeParser.cpp
224     src/brains/BlockSnapshotManager.cpp
225     src/brains/DataStorage.cpp
226 gezelter 1725 src/brains/ForceField.cpp
227 gezelter 1639 src/brains/MoleculeCreator.cpp
228     src/brains/PairList.cpp
229     src/brains/Register.cpp
230     src/brains/SimSnapshotManager.cpp
231     src/brains/Snapshot.cpp
232     src/brains/Stats.cpp
233 gezelter 1748 src/constraints/Shake.cpp
234 gezelter 1639 src/constraints/Rattle.cpp
235     src/hydrodynamics/Ellipsoid.cpp
236     src/hydrodynamics/HydroProp.cpp
237     src/hydrodynamics/Sphere.cpp
238     src/integrators/DLM.cpp
239 gezelter 1766 src/flucq/FluctuatingChargeLangevin.cpp
240 gezelter 1743 src/flucq/FluctuatingChargeParameters.cpp
241 gezelter 1731 src/flucq/FluctuatingChargeNVT.cpp
242 gezelter 1743 src/flucq/FluctuatingChargePropagator.cpp
243 gezelter 1639 src/integrators/Integrator.cpp
244     src/integrators/IntegratorFactory.cpp
245     src/integrators/LangevinDynamics.cpp
246     src/integrators/LDForceManager.cpp
247     src/integrators/NgammaT.cpp
248     src/integrators/NPAT.cpp
249     src/integrators/NPrT.cpp
250     src/integrators/NPT.cpp
251     src/integrators/NPTf.cpp
252     src/integrators/NPTi.cpp
253     src/integrators/NPTsz.cpp
254     src/integrators/NPTxyz.cpp
255     src/integrators/NVE.cpp
256     src/integrators/NVT.cpp
257     src/integrators/VelocityVerletIntegrator.cpp
258     src/io/AtomTypesSectionParser.cpp
259     src/io/BaseAtomTypesSectionParser.cpp
260     src/io/BendTypesSectionParser.cpp
261     src/io/BondTypesSectionParser.cpp
262     src/io/ChargeAtomTypesSectionParser.cpp
263     src/io/DirectionalAtomTypesSectionParser.cpp
264     src/io/EAMAtomTypesSectionParser.cpp
265 gezelter 1710 src/io/FluctuatingChargeAtomTypesSectionParser.cpp
266 gezelter 1639 src/io/ForceFieldOptions.cpp
267     src/io/GayBerneAtomTypesSectionParser.cpp
268     src/io/Globals.cpp
269     src/io/InversionTypesSectionParser.cpp
270     src/io/LennardJonesAtomTypesSectionParser.cpp
271     src/io/MultipoleAtomTypesSectionParser.cpp
272     src/io/NonBondedInteractionsSectionParser.cpp
273     src/io/OptionSectionParser.cpp
274     src/io/ParamConstraint.cpp
275 gezelter 1710 src/io/PolarizableAtomTypesSectionParser.cpp
276 gezelter 1639 src/io/SCAtomTypesSectionParser.cpp
277     src/io/SectionParser.cpp
278     src/io/SectionParserManager.cpp
279     src/io/ShapeAtomTypesSectionParser.cpp
280     src/io/StickyAtomTypesSectionParser.cpp
281     src/io/StickyPowerAtomTypesSectionParser.cpp
282     src/io/TorsionTypesSectionParser.cpp
283     src/io/ZConsReader.cpp
284     src/lattice/CubicLattice.cpp
285     src/lattice/FCCLattice.cpp
286     src/lattice/Lattice.cpp
287     src/lattice/LatticeFactory.cpp
288     src/lattice/shapedLattice.cpp
289     src/math/ChebyshevT.cpp
290     src/math/ChebyshevU.cpp
291     src/math/CubicSpline.cpp
292     src/math/LegendrePolynomial.cpp
293     src/math/RealSphericalHarmonic.cpp
294     src/math/RMSD.cpp
295     src/math/SeqRandNumGen.cpp
296     src/math/SphericalHarmonic.cpp
297     src/math/Wigner3jm.cpp
298     src/mdParser/FilenameObserver.cpp
299     src/mdParser/MDLexer.cpp
300     src/mdParser/MDParser.cpp
301     src/mdParser/MDTreeParser.cpp
302 gezelter 1743 src/optimization/OptimizationFactory.cpp
303     src/optimization/Armijo.cpp
304     src/optimization/BFGS.cpp
305     src/optimization/ConjugateGradient.cpp
306     src/optimization/Constraint.cpp
307     src/optimization/EndCriteria.cpp
308     src/optimization/LineSearch.cpp
309     src/optimization/LineSearchBasedMethod.cpp
310     src/optimization/SteepestDescent.cpp
311     src/optimization/PotentialEnergyObjectiveFunction.cpp
312 gezelter 1746 src/optimization/MinimizerParameters.cpp
313 gezelter 1639 src/nonbonded/EAM.cpp
314     src/nonbonded/Electrostatic.cpp
315     src/nonbonded/GB.cpp
316     src/nonbonded/InteractionManager.cpp
317     src/nonbonded/LJ.cpp
318     src/nonbonded/MAW.cpp
319     src/nonbonded/Morse.cpp
320     src/nonbonded/RepulsivePower.cpp
321     src/nonbonded/SC.cpp
322     src/nonbonded/Sticky.cpp
323     src/nonbonded/SwitchingFunction.cpp
324     src/primitives/Atom.cpp
325     src/primitives/Bend.cpp
326     src/primitives/DirectionalAtom.cpp
327     src/primitives/GhostBend.cpp
328     src/primitives/GhostTorsion.cpp
329     src/primitives/Inversion.cpp
330     src/primitives/Molecule.cpp
331     src/primitives/RigidBody.cpp
332     src/primitives/StuntDouble.cpp
333     src/primitives/Torsion.cpp
334     src/primitives/UreyBradleyBend.cpp
335 jmarr 1780 src/perturbations/ElectricField.cpp
336 gezelter 1639 src/restraints/MolecularRestraint.cpp
337     src/restraints/ObjectRestraint.cpp
338     src/selection/HullFinder.cpp
339     src/selection/IndexFinder.cpp
340     src/selection/NameFinder.cpp
341     src/selection/SelectionCompiler.cpp
342     src/selection/SelectionEvaluator.cpp
343     src/selection/SelectionManager.cpp
344     src/selection/SelectionToken.cpp
345     src/selection/TokenMap.cpp
346     src/types/AtomStamp.cpp
347     src/types/AtomType.cpp
348     src/types/BendStamp.cpp
349     src/types/BondStamp.cpp
350     src/types/CharmmTorsionType.cpp
351     src/types/Component.cpp
352     src/types/CutoffGroupStamp.cpp
353 gezelter 1710 src/types/DirectionalAdapter.cpp
354     src/types/EAMAdapter.cpp
355     src/types/FixedChargeAdapter.cpp
356     src/types/FluctuatingChargeAdapter.cpp
357 gezelter 1639 src/types/FragmentStamp.cpp
358 gezelter 1710 src/types/GayBerneAdapter.cpp
359 gezelter 1639 src/types/ImproperCosineInversionType.cpp
360     src/types/InversionStamp.cpp
361 gezelter 1710 src/types/LennardJonesAdapter.cpp
362 gezelter 1639 src/types/MoleculeStamp.cpp
363 gezelter 1710 src/types/MultipoleAdapter.cpp
364 gezelter 1639 src/types/NonBondedInteractionType.cpp
365 gezelter 1710 src/types/PolarizableAdapter.cpp
366 gezelter 1639 src/types/RestraintStamp.cpp
367     src/types/RigidBodyStamp.cpp
368     src/types/ShapeAtomType.cpp
369 gezelter 1710 src/types/StickyAdapter.cpp
370     src/types/SuttonChenAdapter.cpp
371 gezelter 1639 src/types/TorsionStamp.cpp
372     src/types/ZconsStamp.cpp
373     src/utils/ElementsTable.cpp
374     src/utils/MoLocator.cpp
375     src/utils/PropertyMap.cpp
376     src/utils/StringTokenizer.cpp
377     src/utils/StringUtils.cpp
378     src/utils/Trim.cpp
379     src/utils/Utility.cpp
380     src/utils/wildcards.cpp
381     src/visitors/AtomNameVisitor.cpp
382     src/visitors/AtomVisitor.cpp
383     src/visitors/CompositeVisitor.cpp
384     src/visitors/LipidTransVisitor.cpp
385     src/visitors/OtherVisitor.cpp
386     src/visitors/ReplacementVisitor.cpp
387     src/visitors/RigidBodyVisitor.cpp
388     src/visitors/ZconsVisitor.cpp
389 gezelter 1731 src/rnemd/RNEMDParameters.cpp
390 gezelter 1639 )
391 chuckv 1466
392 gezelter 1639 set( PARALLEL_SOURCE
393     src/brains/ForceManager.cpp
394     src/brains/SimCreator.cpp
395     src/brains/SimInfo.cpp
396     src/brains/Thermo.cpp
397     src/constraints/ZconstraintForceManager.cpp
398 gezelter 1743 src/flucq/FluctuatingChargeConstraints.cpp
399     src/flucq/FluctuatingChargeObjectiveFunction.cpp
400 gezelter 1730 src/integrators/LangevinHullForceManager.cpp
401 gezelter 1731 src/rnemd/RNEMD.cpp
402 gezelter 1639 src/integrators/Velocitizer.cpp
403     src/io/DumpReader.cpp
404     src/io/DumpWriter.cpp
405     src/io/RestReader.cpp
406     src/io/RestWriter.cpp
407     src/io/StatWriter.cpp
408     src/io/ZConsWriter.cpp
409     src/io/ifstrstream.cpp
410     src/math/ParallelRandNumGen.cpp
411     src/parallel/ForceDecomposition.cpp
412     src/parallel/ForceMatrixDecomposition.cpp
413     src/restraints/RestraintForceManager.cpp
414     src/restraints/ThermoIntegrationForceManager.cpp
415 gezelter 1803 src/selection/DistanceFinder.cpp
416 gezelter 1639 src/utils/ProgressBar.cpp
417 gezelter 1668 src/utils/simError.cpp
418 gezelter 1803 src/utils/OpenMDBitSet.cpp
419 gezelter 1743 src/optimization/Problem.cpp
420 gezelter 1639 )
421    
422 gezelter 1767 IF(ZLIB_FOUND)
423     set(ZLIB_SOURCE
424     src/io/gzstream.cpp
425     )
426     ENDIF(ZLIB_FOUND)
427    
428 gezelter 1639 IF(QHULL_FOUND)
429     set(QHULL_SOURCE
430     src/integrators/LangevinHullDynamics.cpp
431     src/math/Triangle.cpp
432     )
433     set(QHULL_PARALLEL_SOURCE
434     src/integrators/LangevinHullForceManager.cpp
435     src/math/ConvexHull.cpp
436     src/math/AlphaHull.cpp
437     )
438     ENDIF(QHULL_FOUND)
439    
440 gezelter 1767 IF(WIN32)
441     set(GETOPT_SOURCE
442 gezelter 1798 src/utils/wingetopt.cpp
443 gezelter 1767 )
444     ENDIF(WIN32)
445    
446     add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ${ZLIB_SOURCE} )
447 gezelter 1639 add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
448    
449     IF(MPI_FOUND)
450     add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
451     set_target_properties(openmd_parallel PROPERTIES
452     COMPILE_DEFINITIONS IS_MPI
453     )
454     ENDIF(MPI_FOUND)
455    
456     add_executable(openmd src/applications/openmd/openmd.cpp)
457     target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core)
458    
459     if (MPI_FOUND)
460     add_executable(openmd_MPI src/applications/openmd/openmd.cpp)
461     set_target_properties(openmd_MPI PROPERTIES
462     COMPILE_DEFINITIONS IS_MPI
463     )
464     target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
465 gezelter 1647 INSTALL(TARGETS
466     openmd_parallel openmd_MPI
467     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
468     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
469     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
470     )
471 gezelter 1639 ENDIF (MPI_FOUND)
472    
473     set (DUMP2XYZSOURCE
474     src/applications/dump2Xyz/Dump2XYZ.cpp
475 gezelter 1655 src/applications/dump2Xyz/Dump2XYZCmd.cpp
476 gezelter 1639 )
477    
478     set (DYNAMICPROPSSOURCE
479     src/applications/dynamicProps/ActionCorrFunc.cpp
480     src/applications/dynamicProps/CrossTimeCorrFunc.cpp
481     src/applications/dynamicProps/DipoleCorrFunc.cpp
482     src/applications/dynamicProps/DirectionalRCorrFunc.cpp
483     src/applications/dynamicProps/DynamicProps.cpp
484     src/applications/dynamicProps/EnergyCorrFunc.cpp
485     src/applications/dynamicProps/FrameTimeCorrFunc.cpp
486     src/applications/dynamicProps/LegendreCorrFunc.cpp
487     src/applications/dynamicProps/MomentumCorrFunc.cpp
488     src/applications/dynamicProps/ParticleTimeCorrFunc.cpp
489     src/applications/dynamicProps/RadialRCorrFunc.cpp
490     src/applications/dynamicProps/RCorrFunc.cpp
491     src/applications/dynamicProps/StressCorrFunc.cpp
492     src/applications/dynamicProps/SystemDipoleCorrFunc.cpp
493     src/applications/dynamicProps/ThetaCorrFunc.cpp
494     src/applications/dynamicProps/TimeCorrFunc.cpp
495     src/applications/dynamicProps/VCorrFunc.cpp
496 gezelter 1655 src/applications/dynamicProps/DynamicPropsCmd.cpp
497 gezelter 1639 )
498    
499     set (HYDROSOURCE
500     src/applications/hydrodynamics/AnalyticalModel.cpp
501     src/applications/hydrodynamics/ApproximationModel.cpp
502     src/applications/hydrodynamics/BeadModel.cpp
503     src/applications/hydrodynamics/CompositeShape.cpp
504     src/applications/hydrodynamics/Hydro.cpp
505     src/applications/hydrodynamics/HydrodynamicsModel.cpp
506     src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
507     src/applications/hydrodynamics/RoughShell.cpp
508     src/applications/hydrodynamics/ShapeBuilder.cpp
509 gezelter 1655 src/applications/hydrodynamics/HydroCmd.cpp
510 gezelter 1639 )
511    
512     set (STATICPROPSSOURCE
513     src/applications/staticProps/AngleR.cpp
514     src/applications/staticProps/BondAngleDistribution.cpp
515     src/applications/staticProps/BondOrderParameter.cpp
516     src/applications/staticProps/BOPofR.cpp
517     src/applications/staticProps/DensityPlot.cpp
518     src/applications/staticProps/GofAngle2.cpp
519     src/applications/staticProps/GofR.cpp
520     src/applications/staticProps/GofRAngle.cpp
521     src/applications/staticProps/GofRZ.cpp
522     src/applications/staticProps/GofXyz.cpp
523     src/applications/staticProps/GofZ.cpp
524     src/applications/staticProps/Hxy.cpp
525     src/applications/staticProps/NanoLength.cpp
526     src/applications/staticProps/NanoVolume.cpp
527     src/applications/staticProps/ObjectCount.cpp
528     src/applications/staticProps/P2OrderParameter.cpp
529     src/applications/staticProps/pAngle.cpp
530     src/applications/staticProps/RadialDistrFunc.cpp
531     src/applications/staticProps/RhoR.cpp
532     src/applications/staticProps/RhoZ.cpp
533     src/applications/staticProps/RippleOP.cpp
534     src/applications/staticProps/SCDOrderParameter.cpp
535     src/applications/staticProps/StaticProps.cpp
536     src/applications/staticProps/TetrahedralityParam.cpp
537 gezelter 1763 src/applications/staticProps/TetrahedralityParamZ.cpp
538 gezelter 1639 src/applications/staticProps/TwoDGofR.cpp
539 gezelter 1655 src/applications/staticProps/StaticPropsCmd.cpp
540 gezelter 1639 )
541    
542     set (NANOPARTICLEBUILDERSOURCE
543     src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
544     src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
545 gezelter 1655 src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.cpp
546 gezelter 1639 )
547    
548 kstocke1 1701 set (NANORODBUILDERSOURCE
549     src/applications/nanoparticleBuilder/nanorodBuilder.cpp
550     src/applications/nanoparticleBuilder/shapedLatticeRod.cpp
551     src/applications/nanoparticleBuilder/nanorodBuilderCmd.cpp
552     )
553    
554     set (NANOROD_PENTBUILDERSOURCE
555     src/applications/nanoparticleBuilder/nanorod_pentBuilder.cpp
556     src/applications/nanoparticleBuilder/nanorod_pentBuilderCmd.cpp
557     src/applications/nanoparticleBuilder/shapedLatticePentRod.cpp
558     )
559    
560 gezelter 1639 set (RANDOMBUILDERSOURCE
561     src/applications/randomBuilder/randomBuilder.cpp
562 gezelter 1655 src/applications/randomBuilder/randomBuilderCmd.cpp
563 gezelter 1639 )
564    
565     set(SIMPLEBUILDERSOURCE
566     src/applications/simpleBuilder/simpleBuilder.cpp
567 gezelter 1655 src/applications/simpleBuilder/simpleBuilderCmd.cpp
568 gezelter 1639 )
569    
570     set(THERMALIZERSOURCE
571     src/applications/thermalizer/thermalizer.cpp
572 gezelter 1655 src/applications/thermalizer/thermalizerCmd.cpp
573 gezelter 1639 )
574    
575 gezelter 1767 add_executable(Dump2XYZ ${DUMP2XYZSOURCE} ${GETOPT_SOURCE})
576 gezelter 1639 target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core)
577 gezelter 1767 add_executable(DynamicProps ${DYNAMICPROPSSOURCE} ${GETOPT_SOURCE})
578 gezelter 1639 target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core)
579 gezelter 1767 add_executable(Hydro ${HYDROSOURCE} ${GETOPT_SOURCE})
580 gezelter 1639 target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core)
581 gezelter 1767 add_executable(StaticProps ${STATICPROPSSOURCE} ${GETOPT_SOURCE})
582 gezelter 1639 target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core)
583 gezelter 1767 add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE} ${GETOPT_SOURCE})
584 gezelter 1639 target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core)
585 gezelter 1767 add_executable(nanorodBuilder ${NANORODBUILDERSOURCE} ${GETOPT_SOURCE})
586 kstocke1 1701 target_link_libraries(nanorodBuilder openmd_single openmd_core openmd_single openmd_core)
587 gezelter 1767 add_executable(nanorod_pentBuilder ${NANOROD_PENTBUILDERSOURCE} ${GETOPT_SOURCE})
588 kstocke1 1701 target_link_libraries(nanorod_pentBuilder openmd_single openmd_core openmd_single openmd_core)
589 gezelter 1767 add_executable(randomBuilder ${RANDOMBUILDERSOURCE} ${GETOPT_SOURCE})
590 gezelter 1639 target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core)
591 gezelter 1767 add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE} ${GETOPT_SOURCE})
592 gezelter 1639 target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core)
593 gezelter 1767 add_executable(thermalizer ${THERMALIZERSOURCE} ${GETOPT_SOURCE})
594 gezelter 1639 target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core)
595    
596     if (OPENBABEL2_FOUND)
597     set (ATOM2MDSOURCE
598     src/applications/atom2md/atom2md.cpp
599     src/applications/atom2md/openmdformat.cpp
600     )
601 gezelter 1767 add_executable(atom2md ${ATOM2MDSOURCE} ${GETOPT_SOURCE})
602 gezelter 1699 target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
603 gezelter 1647 INSTALL(TARGETS atom2md RUNTIME DESTINATION bin
604     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
605 gezelter 1639 ENDIF (OPENBABEL2_FOUND)
606    
607    
608     set(PY_FILES
609     src/applications/hydrodynamics/diffExplainer
610     src/applications/utilities/affineScale
611     src/applications/utilities/dumpConverter
612     src/applications/utilities/md-solvator
613     src/applications/utilities/md2md
614     src/applications/utilities/mdSplit
615     src/applications/utilities/principalAxisCalculator
616 gezelter 1798 src/applications/utilities/stat2thcond
617 gezelter 1639 src/applications/utilities/stat2visco
618     src/applications/utilities/waterRotator
619 gezelter 1668 src/applications/utilities/waterReplacer
620 gezelter 1639 )
621    
622     IF(PYTHON_EXECUTABLE)
623 gezelter 1798 IF(WIN32)
624     SET(PYEXT ".py")
625     ELSE(WIN32)
626     SET(PYEXT "")
627     ENDIF(WIN32)
628    
629     foreach(PY_FILE ${PY_FILES})
630     GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME)
631     CONFIGURE_FILE(${PY_FILE}
632     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}" @ONLY)
633     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}"
634     DESTINATION bin
635     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
636     endforeach(PY_FILE)
637 gezelter 1639 ENDIF(PYTHON_EXECUTABLE)
638    
639     set(PERL_FILES
640     src/applications/utilities/solvator
641     src/applications/utilities/waterBoxer
642     )
643    
644     IF(PERL_FOUND)
645 gezelter 1798 IF(WIN32)
646     SET(PLEXT ".PL")
647     ELSE(WIN32)
648     SET(PLEXT "")
649     ENDIF(WIN32)
650 gezelter 1647
651 gezelter 1798 foreach(PERL_FILE ${PERL_FILES})
652     GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME)
653     configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}" @ONLY)
654     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}"
655     DESTINATION bin
656     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
657    
658     endforeach(PERL_FILE)
659 gezelter 1639 ENDIF(PERL_FOUND)
660 gezelter 1647
661 gezelter 1652 INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION .
662 gezelter 1647 PERMISSIONS OWNER_READ GROUP_READ WORLD_READ)
663     INSTALL(TARGETS
664     openmd_core
665     openmd_single
666     openmd
667     Dump2XYZ
668     simpleBuilder
669     StaticProps
670     DynamicProps
671     randomBuilder
672     nanoparticleBuilder
673     thermalizer
674     Hydro
675     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
676     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
677     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
678     )
679    
680     install(DIRECTORY forceFields/
681     DESTINATION forceFields
682 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
683     PATTERN ".svn" EXCLUDE
684 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
685     install(DIRECTORY samples/
686     DESTINATION samples
687 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
688     PATTERN ".svn" EXCLUDE
689 gezelter 1651 PATTERN "*.dump" EXCLUDE
690     PATTERN "*.stat" EXCLUDE
691 gezelter 1798 PATTERN "*.eor" EXCLUDE
692     PATTERN "*.rnemd" EXCLUDE
693 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
694 gezelter 1651 INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf"
695     DESTINATION doc
696     PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
697 gezelter 1694
698     message( STATUS)
699     message( STATUS "========== OpenMD Build Information ==========")
700     message( STATUS "Current revision ........... = ${SVN_REV}")
701     message( STATUS "CMAKE_SYSTEM ............... = ${CMAKE_SYSTEM}")
702     message( STATUS "==============================================")
703     message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}")
704     message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}")
705 gezelter 1695 message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}")
706 gezelter 1694 message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}")
707     message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}")
708     message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}")
709     message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}")
710 gezelter 1699 message( STATUS "OPENBABEL2_ROOT ............ = ${OPENBABEL2_ROOT}")
711 gezelter 1694 message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}")
712     message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}")
713 gezelter 1695 message( STATUS "QHULL_ROOT ................. = ${QHULL_ROOT}")
714 gezelter 1694 message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}")
715     message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}")
716 gezelter 1695 message( STATUS "ZLIB_ROOT .................. = ${ZLIB_ROOT}")
717 gezelter 1694 message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}")
718     message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}")
719 gezelter 1699 message( STATUS "FFTW3_ROOT ................. = ${FFTW3_ROOT}")
720 gezelter 1694 message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}")
721     message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}")
722 gezelter 1695 message( STATUS "PERL_EXECUTABLE ............ = ${PERL_EXECUTABLE}")
723     message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON_EXECUTABLE}")
724 gezelter 1694 message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}")
725 gezelter 1695 message( STATUS )
726 gezelter 1696 message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command" )
727     message( STATUS "Particularly useful defines are for:")
728     message( STATUS )
729 gezelter 1699 message( STATUS " -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} (where OpenMD will be installed)")
730     message( STATUS " -DOPENBABEL2_ROOT=/path/to/openbabel")
731     message( STATUS " -DQHULL_ROOT=/path/to/qhull")
732     message( STATUS " -DFFTW3_ROOT=/path/to/fftw3")
733 gezelter 1696 message( STATUS )
734     message( STATUS "To build and install OpenMD, enter \"make\" and \"make install\"")
735     message( STATUS )
736 gezelter 1798
737     # build a CPack driven installer package
738     IF(NOT DEFINED CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS)
739     SET(CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS ON)
740     ENDIF()
741     include (InstallRequiredSystemLibraries)
742     set (CPACK_RESOURCE_FILE_LICENSE
743     "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
744     set (CPACK_PACKAGE_VERSION_MAJOR "${VERSION_MAJOR}")
745     set (CPACK_PACKAGE_VERSION_MINOR "${VERSION_MINOR}")
746     include (CPack)