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root/OpenMD/branches/development/CMakeLists.txt
Revision: 1840
Committed: Mon Jan 28 15:44:32 2013 UTC (12 years, 4 months ago) by gezelter
Content type: text/plain
File size: 27009 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 gezelter 1830 set (VERSION_MINOR "1")
39 chuckv 1496 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 gezelter 1830 IF(WIN32)
44     SET(CMAKE_INSTALL_PREFIX "C:/Program Files (x86)/openmd"
45     CACHE PATH "OpenMD install prefix" FORCE)
46     ELSE(WIN32)
47     SET(CMAKE_INSTALL_PREFIX "/usr/local/openmd"
48     CACHE PATH "OpenMD install prefix" FORCE)
49     ENDIF(WIN32)
50 gezelter 1647 ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
51 gezelter 1830 ADD_DEFINITIONS( -DFRC_PATH=${CMAKE_INSTALL_PREFIX}/forceFields )
52 chuckv 1466
53 gezelter 1647 # ---------- Setup output Directories -------------------------
54     SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY
55     ${PROJECT_BINARY_DIR}/lib
56     CACHE PATH
57     "Single directory for all shared libraries"
58     )
59     # --------- Setup the Executable output Directory -------------
60     SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY
61     ${PROJECT_BINARY_DIR}/bin
62     CACHE PATH
63     "Single directory for all Executables."
64     )
65     # --------- Setup the static library directory -------------
66     SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY
67     ${PROJECT_BINARY_DIR}/lib
68     CACHE PATH
69     "Single directory for all static libraries."
70     )
71    
72 gezelter 1636 FIND_PACKAGE(Subversion)
73     IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn )
74     Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
75 gezelter 1694 MESSAGE(STATUS "Current revision is ${Project_WC_REVISION}")
76 gezelter 1636 Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project)
77     SET(SVN_REV ${Project_WC_REVISION})
78     ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} )
79 gezelter 1652 SET(GENERATELOGS "${PROJECT_SOURCE_DIR}/doc/svn2cl")
80     ADD_CUSTOM_TARGET(ChangeLog
81     COMMAND ${GENERATELOGS} "--group-by-day" "--include-rev"
82     "--linelen=78" "--output=${PROJECT_BINARY_DIR}/ChangeLog" "${PROJECT_SOURCE_DIR}"
83     )
84 gezelter 1840 ELSE()
85     SET(SVN_REV Release)
86     ADD_DEFINITIONS( -DSVN_REV=Release )
87 gezelter 1636 ENDIF()
88    
89 gezelter 1694 check_include_file_cxx(conio.h HAVE_CONIO_H)
90     check_cxx_symbol_exists(strncasecmp "string.h" HAVE_STRNCASECMP)
91 gezelter 1668
92 chuckv 1466 # Optional libraries: If we can find these, we will build with them
93     # Look for OpenBabel libraries
94 chuckv 1496 find_package(OpenBabel2)
95     IF(OPENBABEL2_FOUND)
96     SET(USE_OPENBABEL)
97     include_directories(${OPENBABEL2_INCLUDE_DIR})
98 gezelter 1694 # link libraries are added only for targets that need them.
99 gezelter 1695 ELSE(OPENBABEL2_FOUND)
100 gezelter 1705 MESSAGE(STATUS "No OpenBabel found - will not build atom2md")
101 chuckv 1496 ENDIF(OPENBABEL2_FOUND)
102    
103 gezelter 1743 find_package(Eigen3)
104     if(EIGEN3_FOUND)
105     add_definitions(-DHAVE_EIGEN -DHAVE_EIGEN3)
106     include_directories(${EIGEN3_INCLUDE_DIR})
107     else()
108     find_package(Eigen2) # find and setup Eigen2
109     if(EIGEN2_FOUND)
110     add_definitions (-DHAVE_EIGEN)
111     include_directories(${EIGEN2_INCLUDE_DIR})
112     endif()
113     endif()
114    
115 chuckv 1466 #Look for QHULL Libraries
116 gezelter 1707 set(QHULL_USE_STATIC 1)
117 gezelter 1694 find_package(Qhull)
118 chuckv 1496 IF(QHULL_FOUND)
119     SET(HAVE_QHULL 1)
120 chuckv 1500 include_directories(${QHULL_INCLUDE_DIR})
121 chuckv 1496 LINK_LIBRARIES(${QHULL_LIBRARIES})
122 gezelter 1695 ELSE(QHULL_FOUND)
123 gezelter 1705 MESSAGE(STATUS "No Qhull found - will be missing some features")
124 chuckv 1496 ENDIF(QHULL_FOUND)
125 chuckv 1466
126 chuckv 1496 # zlib stuff
127     find_package(ZLIB)
128     if(ZLIB_FOUND)
129     SET(HAVE_LIBZ 1)
130     add_definitions(-DHAVE_LIBZ)
131     include_directories(${ZLIB_INCLUDE_DIR})
132     LINK_LIBRARIES(${ZLIB_LIBRARIES})
133 gezelter 1695 ELSE(ZLIB_FOUND)
134 gezelter 1705 MESSAGE(STATUS "No zlib found - will be missing compressed dump files")
135 chuckv 1496 endif(ZLIB_FOUND)
136    
137 gezelter 1695 #FFTW3
138 gezelter 1694 IF(SINGLE_PRECISION)
139     find_package(FFTW3 COMPONENTS single)
140     else()
141     find_package(FFTW3 COMPONENTS double)
142     endif(SINGLE_PRECISION)
143     if (FFTW3_FOUND)
144     include_directories (${CMAKE_SOURCE_DIR} ${CMAKE_BINARY_DIR} ${FFTW3_INCLUDE_DIR})
145 chuckv 1496 SET(HAVE_LIBFFTW 1)
146 gezelter 1668 SET(HAVE_FFTW3_H 1)
147 gezelter 1694 INCLUDE_DIRECTORIES(${FFTW3_INCLUDE_DIR})
148     LINK_LIBRARIES(${FFTW3_LIBRARIES})
149 gezelter 1695 ELSE(FFTW3_FOUND)
150 gezelter 1705 MESSAGE(STATUS "No fftw3 found - will be missing some analysis modules")
151 gezelter 1694 endif (FFTW3_FOUND)
152 chuckv 1496
153 gezelter 1694
154 gezelter 1651 # add a target to generate API documentation with Doxygen
155     find_package(Doxygen)
156     if(DOXYGEN_FOUND)
157     configure_file("${CMAKE_CURRENT_SOURCE_DIR}/doc/Doxyfile.in" "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile" @ONLY)
158     add_custom_target(doc
159     ${DOXYGEN_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile"
160     WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/doc"
161     COMMENT "Generating API documentation with Doxygen" VERBATIM
162     )
163     endif(DOXYGEN_FOUND)
164 chuckv 1496
165 gezelter 1639 FIND_PACKAGE(Perl)
166     IF(PERL_FOUND)
167     SET(PERL ${PERL_EXECUTABLE})
168     ELSE(PERL_FOUND)
169 gezelter 1695 MESSAGE(STATUS "Failed to find perl - some scripts will not be made")
170 gezelter 1639 ENDIF(PERL_FOUND)
171    
172 gezelter 1695 SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation
173     locations")
174    
175 gezelter 1639 FIND_PACKAGE(PythonInterp)
176     IF(PYTHON_EXECUTABLE)
177     SET(PYTHON ${PYTHON_EXECUTABLE})
178     ELSE(PYTHON_EXECUTABLE)
179 gezelter 1695 MESSAGE(STATUS "Failed to find python - some scripts will not be made")
180 gezelter 1639 ENDIF(PYTHON_EXECUTABLE)
181    
182 chuckv 1496 configure_file (
183     "${PROJECT_SOURCE_DIR}/src/config.h.cmake"
184 gezelter 1655 "${PROJECT_BINARY_DIR}/config.h"
185     )
186     include_directories("${PROJECT_BINARY_DIR}" "${PROJECT_SOURCE_DIR}/src")
187 chuckv 1496
188 chuckv 1466 #Add executables for build
189 gezelter 1639 set (PROGRAMS
190     openmd
191     openmd_MPI
192     Dump2XYZ
193     simpleBuilder
194     StaticProps
195     DynamicProps
196     randomBuilder
197     nanoparticleBuilder
198     thermalizer
199     atom2md
200     Hydro)
201 chuckv 1466
202 gezelter 1639 set(SOURCE
203     src/antlr/ANTLRUtil.cpp
204     src/antlr/ASTFactory.cpp
205     src/antlr/ASTNULLType.cpp
206     src/antlr/ASTRefCount.cpp
207     src/antlr/BaseAST.cpp
208     src/antlr/BitSet.cpp
209     src/antlr/CharBuffer.cpp
210     src/antlr/CharScanner.cpp
211     src/antlr/CommonAST.cpp
212     src/antlr/CommonASTWithHiddenTokens.cpp
213     src/antlr/CommonHiddenStreamToken.cpp
214     src/antlr/CommonToken.cpp
215     src/antlr/InputBuffer.cpp
216     src/antlr/LLkParser.cpp
217     src/antlr/MismatchedCharException.cpp
218     src/antlr/MismatchedTokenException.cpp
219     src/antlr/NoViableAltException.cpp
220     src/antlr/NoViableAltForCharException.cpp
221     src/antlr/Parser.cpp
222     src/antlr/RecognitionException.cpp
223     src/antlr/String.cpp
224     src/antlr/Token.cpp
225     src/antlr/TokenBuffer.cpp
226     src/antlr/TokenRefCount.cpp
227     src/antlr/TokenStreamBasicFilter.cpp
228     src/antlr/TokenStreamHiddenTokenFilter.cpp
229     src/antlr/TokenStreamRewriteEngine.cpp
230     src/antlr/TokenStreamSelector.cpp
231     src/antlr/TreeParser.cpp
232     src/brains/BlockSnapshotManager.cpp
233     src/brains/DataStorage.cpp
234 gezelter 1725 src/brains/ForceField.cpp
235 gezelter 1639 src/brains/MoleculeCreator.cpp
236     src/brains/PairList.cpp
237     src/brains/Register.cpp
238     src/brains/SimSnapshotManager.cpp
239     src/brains/Snapshot.cpp
240     src/brains/Stats.cpp
241 gezelter 1748 src/constraints/Shake.cpp
242 gezelter 1639 src/constraints/Rattle.cpp
243     src/hydrodynamics/Ellipsoid.cpp
244     src/hydrodynamics/HydroProp.cpp
245     src/hydrodynamics/Sphere.cpp
246     src/integrators/DLM.cpp
247 gezelter 1766 src/flucq/FluctuatingChargeLangevin.cpp
248 gezelter 1743 src/flucq/FluctuatingChargeParameters.cpp
249 gezelter 1731 src/flucq/FluctuatingChargeNVT.cpp
250 gezelter 1743 src/flucq/FluctuatingChargePropagator.cpp
251 gezelter 1639 src/integrators/Integrator.cpp
252     src/integrators/IntegratorFactory.cpp
253     src/integrators/LangevinDynamics.cpp
254     src/integrators/LDForceManager.cpp
255     src/integrators/NgammaT.cpp
256     src/integrators/NPAT.cpp
257     src/integrators/NPrT.cpp
258     src/integrators/NPT.cpp
259     src/integrators/NPTf.cpp
260     src/integrators/NPTi.cpp
261     src/integrators/NPTsz.cpp
262     src/integrators/NPTxyz.cpp
263     src/integrators/NVE.cpp
264     src/integrators/NVT.cpp
265     src/integrators/VelocityVerletIntegrator.cpp
266     src/io/AtomTypesSectionParser.cpp
267     src/io/BaseAtomTypesSectionParser.cpp
268     src/io/BendTypesSectionParser.cpp
269     src/io/BondTypesSectionParser.cpp
270     src/io/ChargeAtomTypesSectionParser.cpp
271     src/io/DirectionalAtomTypesSectionParser.cpp
272     src/io/EAMAtomTypesSectionParser.cpp
273 gezelter 1710 src/io/FluctuatingChargeAtomTypesSectionParser.cpp
274 gezelter 1639 src/io/ForceFieldOptions.cpp
275     src/io/GayBerneAtomTypesSectionParser.cpp
276     src/io/Globals.cpp
277     src/io/InversionTypesSectionParser.cpp
278     src/io/LennardJonesAtomTypesSectionParser.cpp
279     src/io/MultipoleAtomTypesSectionParser.cpp
280     src/io/NonBondedInteractionsSectionParser.cpp
281     src/io/OptionSectionParser.cpp
282     src/io/ParamConstraint.cpp
283 gezelter 1710 src/io/PolarizableAtomTypesSectionParser.cpp
284 gezelter 1639 src/io/SCAtomTypesSectionParser.cpp
285     src/io/SectionParser.cpp
286     src/io/SectionParserManager.cpp
287     src/io/ShapeAtomTypesSectionParser.cpp
288     src/io/StickyAtomTypesSectionParser.cpp
289     src/io/StickyPowerAtomTypesSectionParser.cpp
290     src/io/TorsionTypesSectionParser.cpp
291     src/io/ZConsReader.cpp
292     src/lattice/CubicLattice.cpp
293     src/lattice/FCCLattice.cpp
294     src/lattice/Lattice.cpp
295     src/lattice/LatticeFactory.cpp
296     src/lattice/shapedLattice.cpp
297     src/math/ChebyshevT.cpp
298     src/math/ChebyshevU.cpp
299     src/math/CubicSpline.cpp
300     src/math/LegendrePolynomial.cpp
301     src/math/RealSphericalHarmonic.cpp
302     src/math/RMSD.cpp
303     src/math/SeqRandNumGen.cpp
304     src/math/SphericalHarmonic.cpp
305     src/math/Wigner3jm.cpp
306     src/mdParser/FilenameObserver.cpp
307     src/mdParser/MDLexer.cpp
308     src/mdParser/MDParser.cpp
309     src/mdParser/MDTreeParser.cpp
310 gezelter 1743 src/optimization/OptimizationFactory.cpp
311     src/optimization/Armijo.cpp
312     src/optimization/BFGS.cpp
313     src/optimization/ConjugateGradient.cpp
314     src/optimization/Constraint.cpp
315     src/optimization/EndCriteria.cpp
316     src/optimization/LineSearch.cpp
317     src/optimization/LineSearchBasedMethod.cpp
318     src/optimization/SteepestDescent.cpp
319     src/optimization/PotentialEnergyObjectiveFunction.cpp
320 gezelter 1746 src/optimization/MinimizerParameters.cpp
321 gezelter 1639 src/nonbonded/EAM.cpp
322     src/nonbonded/Electrostatic.cpp
323     src/nonbonded/GB.cpp
324     src/nonbonded/InteractionManager.cpp
325     src/nonbonded/LJ.cpp
326     src/nonbonded/MAW.cpp
327     src/nonbonded/Morse.cpp
328     src/nonbonded/RepulsivePower.cpp
329     src/nonbonded/SC.cpp
330     src/nonbonded/Sticky.cpp
331     src/nonbonded/SwitchingFunction.cpp
332     src/primitives/Atom.cpp
333     src/primitives/Bend.cpp
334     src/primitives/DirectionalAtom.cpp
335     src/primitives/GhostBend.cpp
336     src/primitives/GhostTorsion.cpp
337     src/primitives/Inversion.cpp
338     src/primitives/Molecule.cpp
339     src/primitives/RigidBody.cpp
340     src/primitives/StuntDouble.cpp
341     src/primitives/Torsion.cpp
342     src/primitives/UreyBradleyBend.cpp
343 jmarr 1780 src/perturbations/ElectricField.cpp
344 gezelter 1639 src/restraints/MolecularRestraint.cpp
345     src/restraints/ObjectRestraint.cpp
346     src/selection/HullFinder.cpp
347     src/selection/IndexFinder.cpp
348     src/selection/NameFinder.cpp
349     src/selection/SelectionCompiler.cpp
350     src/selection/SelectionEvaluator.cpp
351     src/selection/SelectionManager.cpp
352     src/selection/SelectionToken.cpp
353     src/selection/TokenMap.cpp
354     src/types/AtomStamp.cpp
355     src/types/AtomType.cpp
356     src/types/BendStamp.cpp
357     src/types/BondStamp.cpp
358     src/types/CharmmTorsionType.cpp
359     src/types/Component.cpp
360     src/types/CutoffGroupStamp.cpp
361 gezelter 1710 src/types/DirectionalAdapter.cpp
362     src/types/EAMAdapter.cpp
363     src/types/FixedChargeAdapter.cpp
364     src/types/FluctuatingChargeAdapter.cpp
365 gezelter 1639 src/types/FragmentStamp.cpp
366 gezelter 1710 src/types/GayBerneAdapter.cpp
367 gezelter 1639 src/types/ImproperCosineInversionType.cpp
368     src/types/InversionStamp.cpp
369 gezelter 1710 src/types/LennardJonesAdapter.cpp
370 gezelter 1639 src/types/MoleculeStamp.cpp
371 gezelter 1710 src/types/MultipoleAdapter.cpp
372 gezelter 1639 src/types/NonBondedInteractionType.cpp
373 gezelter 1710 src/types/PolarizableAdapter.cpp
374 gezelter 1639 src/types/RestraintStamp.cpp
375     src/types/RigidBodyStamp.cpp
376     src/types/ShapeAtomType.cpp
377 gezelter 1710 src/types/StickyAdapter.cpp
378     src/types/SuttonChenAdapter.cpp
379 gezelter 1639 src/types/TorsionStamp.cpp
380     src/types/ZconsStamp.cpp
381     src/utils/ElementsTable.cpp
382     src/utils/MoLocator.cpp
383     src/utils/PropertyMap.cpp
384     src/utils/StringTokenizer.cpp
385     src/utils/StringUtils.cpp
386     src/utils/Trim.cpp
387     src/utils/Utility.cpp
388     src/utils/wildcards.cpp
389     src/visitors/AtomNameVisitor.cpp
390     src/visitors/AtomVisitor.cpp
391     src/visitors/CompositeVisitor.cpp
392     src/visitors/LipidTransVisitor.cpp
393     src/visitors/OtherVisitor.cpp
394     src/visitors/ReplacementVisitor.cpp
395     src/visitors/RigidBodyVisitor.cpp
396     src/visitors/ZconsVisitor.cpp
397 gezelter 1731 src/rnemd/RNEMDParameters.cpp
398 gezelter 1639 )
399 chuckv 1466
400 gezelter 1639 set( PARALLEL_SOURCE
401     src/brains/ForceManager.cpp
402     src/brains/SimCreator.cpp
403     src/brains/SimInfo.cpp
404     src/brains/Thermo.cpp
405     src/constraints/ZconstraintForceManager.cpp
406 gezelter 1743 src/flucq/FluctuatingChargeConstraints.cpp
407     src/flucq/FluctuatingChargeObjectiveFunction.cpp
408 gezelter 1730 src/integrators/LangevinHullForceManager.cpp
409 gezelter 1731 src/rnemd/RNEMD.cpp
410 gezelter 1639 src/integrators/Velocitizer.cpp
411     src/io/DumpReader.cpp
412     src/io/DumpWriter.cpp
413     src/io/RestReader.cpp
414     src/io/RestWriter.cpp
415     src/io/StatWriter.cpp
416     src/io/ZConsWriter.cpp
417     src/io/ifstrstream.cpp
418     src/math/ParallelRandNumGen.cpp
419     src/parallel/ForceDecomposition.cpp
420     src/parallel/ForceMatrixDecomposition.cpp
421     src/restraints/RestraintForceManager.cpp
422     src/restraints/ThermoIntegrationForceManager.cpp
423 gezelter 1803 src/selection/DistanceFinder.cpp
424 gezelter 1639 src/utils/ProgressBar.cpp
425 gezelter 1668 src/utils/simError.cpp
426 gezelter 1803 src/utils/OpenMDBitSet.cpp
427 gezelter 1743 src/optimization/Problem.cpp
428 gezelter 1639 )
429    
430 gezelter 1767 IF(ZLIB_FOUND)
431     set(ZLIB_SOURCE
432     src/io/gzstream.cpp
433     )
434     ENDIF(ZLIB_FOUND)
435    
436 gezelter 1639 IF(QHULL_FOUND)
437     set(QHULL_SOURCE
438     src/integrators/LangevinHullDynamics.cpp
439     src/math/Triangle.cpp
440     )
441     set(QHULL_PARALLEL_SOURCE
442     src/integrators/LangevinHullForceManager.cpp
443     src/math/ConvexHull.cpp
444     src/math/AlphaHull.cpp
445     )
446     ENDIF(QHULL_FOUND)
447    
448 gezelter 1767 IF(WIN32)
449     set(GETOPT_SOURCE
450 gezelter 1798 src/utils/wingetopt.cpp
451 gezelter 1767 )
452     ENDIF(WIN32)
453    
454     add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ${ZLIB_SOURCE} )
455 gezelter 1639 add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
456    
457     IF(MPI_FOUND)
458     add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
459     set_target_properties(openmd_parallel PROPERTIES
460     COMPILE_DEFINITIONS IS_MPI
461     )
462     ENDIF(MPI_FOUND)
463    
464     add_executable(openmd src/applications/openmd/openmd.cpp)
465     target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core)
466    
467     if (MPI_FOUND)
468     add_executable(openmd_MPI src/applications/openmd/openmd.cpp)
469     set_target_properties(openmd_MPI PROPERTIES
470     COMPILE_DEFINITIONS IS_MPI
471     )
472     target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
473 gezelter 1647 INSTALL(TARGETS
474     openmd_parallel openmd_MPI
475     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
476     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
477     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
478     )
479 gezelter 1639 ENDIF (MPI_FOUND)
480    
481     set (DUMP2XYZSOURCE
482     src/applications/dump2Xyz/Dump2XYZ.cpp
483 gezelter 1655 src/applications/dump2Xyz/Dump2XYZCmd.cpp
484 gezelter 1639 )
485    
486     set (DYNAMICPROPSSOURCE
487     src/applications/dynamicProps/ActionCorrFunc.cpp
488     src/applications/dynamicProps/CrossTimeCorrFunc.cpp
489     src/applications/dynamicProps/DipoleCorrFunc.cpp
490     src/applications/dynamicProps/DirectionalRCorrFunc.cpp
491     src/applications/dynamicProps/DynamicProps.cpp
492     src/applications/dynamicProps/EnergyCorrFunc.cpp
493     src/applications/dynamicProps/FrameTimeCorrFunc.cpp
494     src/applications/dynamicProps/LegendreCorrFunc.cpp
495     src/applications/dynamicProps/MomentumCorrFunc.cpp
496     src/applications/dynamicProps/ParticleTimeCorrFunc.cpp
497     src/applications/dynamicProps/RadialRCorrFunc.cpp
498     src/applications/dynamicProps/RCorrFunc.cpp
499 gezelter 1812 src/applications/dynamicProps/SelectionCorrFunc.cpp
500 gezelter 1639 src/applications/dynamicProps/StressCorrFunc.cpp
501     src/applications/dynamicProps/SystemDipoleCorrFunc.cpp
502     src/applications/dynamicProps/ThetaCorrFunc.cpp
503     src/applications/dynamicProps/TimeCorrFunc.cpp
504     src/applications/dynamicProps/VCorrFunc.cpp
505 gezelter 1655 src/applications/dynamicProps/DynamicPropsCmd.cpp
506 gezelter 1639 )
507    
508     set (HYDROSOURCE
509     src/applications/hydrodynamics/AnalyticalModel.cpp
510     src/applications/hydrodynamics/ApproximationModel.cpp
511     src/applications/hydrodynamics/BeadModel.cpp
512     src/applications/hydrodynamics/CompositeShape.cpp
513     src/applications/hydrodynamics/Hydro.cpp
514     src/applications/hydrodynamics/HydrodynamicsModel.cpp
515     src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
516     src/applications/hydrodynamics/RoughShell.cpp
517     src/applications/hydrodynamics/ShapeBuilder.cpp
518 gezelter 1655 src/applications/hydrodynamics/HydroCmd.cpp
519 gezelter 1639 )
520    
521     set (STATICPROPSSOURCE
522     src/applications/staticProps/AngleR.cpp
523     src/applications/staticProps/BondAngleDistribution.cpp
524     src/applications/staticProps/BondOrderParameter.cpp
525     src/applications/staticProps/BOPofR.cpp
526     src/applications/staticProps/DensityPlot.cpp
527     src/applications/staticProps/GofAngle2.cpp
528     src/applications/staticProps/GofR.cpp
529     src/applications/staticProps/GofRAngle.cpp
530     src/applications/staticProps/GofRZ.cpp
531     src/applications/staticProps/GofXyz.cpp
532     src/applications/staticProps/GofZ.cpp
533     src/applications/staticProps/Hxy.cpp
534     src/applications/staticProps/NanoLength.cpp
535     src/applications/staticProps/NanoVolume.cpp
536     src/applications/staticProps/ObjectCount.cpp
537     src/applications/staticProps/P2OrderParameter.cpp
538     src/applications/staticProps/pAngle.cpp
539     src/applications/staticProps/RadialDistrFunc.cpp
540     src/applications/staticProps/RhoR.cpp
541     src/applications/staticProps/RhoZ.cpp
542     src/applications/staticProps/RippleOP.cpp
543     src/applications/staticProps/SCDOrderParameter.cpp
544     src/applications/staticProps/StaticProps.cpp
545     src/applications/staticProps/TetrahedralityParam.cpp
546 gezelter 1763 src/applications/staticProps/TetrahedralityParamZ.cpp
547 gezelter 1639 src/applications/staticProps/TwoDGofR.cpp
548 gezelter 1655 src/applications/staticProps/StaticPropsCmd.cpp
549 gezelter 1639 )
550    
551     set (NANOPARTICLEBUILDERSOURCE
552     src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
553     src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
554 gezelter 1655 src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.cpp
555 gezelter 1639 )
556    
557 kstocke1 1701 set (NANORODBUILDERSOURCE
558     src/applications/nanoparticleBuilder/nanorodBuilder.cpp
559     src/applications/nanoparticleBuilder/shapedLatticeRod.cpp
560     src/applications/nanoparticleBuilder/nanorodBuilderCmd.cpp
561     )
562    
563     set (NANOROD_PENTBUILDERSOURCE
564     src/applications/nanoparticleBuilder/nanorod_pentBuilder.cpp
565     src/applications/nanoparticleBuilder/nanorod_pentBuilderCmd.cpp
566     src/applications/nanoparticleBuilder/shapedLatticePentRod.cpp
567     )
568    
569 gezelter 1639 set (RANDOMBUILDERSOURCE
570     src/applications/randomBuilder/randomBuilder.cpp
571 gezelter 1655 src/applications/randomBuilder/randomBuilderCmd.cpp
572 gezelter 1639 )
573    
574     set(SIMPLEBUILDERSOURCE
575     src/applications/simpleBuilder/simpleBuilder.cpp
576 gezelter 1655 src/applications/simpleBuilder/simpleBuilderCmd.cpp
577 gezelter 1639 )
578    
579     set(THERMALIZERSOURCE
580     src/applications/thermalizer/thermalizer.cpp
581 gezelter 1655 src/applications/thermalizer/thermalizerCmd.cpp
582 gezelter 1639 )
583    
584 gezelter 1767 add_executable(Dump2XYZ ${DUMP2XYZSOURCE} ${GETOPT_SOURCE})
585 gezelter 1639 target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core)
586 gezelter 1767 add_executable(DynamicProps ${DYNAMICPROPSSOURCE} ${GETOPT_SOURCE})
587 gezelter 1639 target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core)
588 gezelter 1767 add_executable(Hydro ${HYDROSOURCE} ${GETOPT_SOURCE})
589 gezelter 1639 target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core)
590 gezelter 1767 add_executable(StaticProps ${STATICPROPSSOURCE} ${GETOPT_SOURCE})
591 gezelter 1639 target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core)
592 gezelter 1767 add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE} ${GETOPT_SOURCE})
593 gezelter 1812 target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
594 gezelter 1767 add_executable(nanorodBuilder ${NANORODBUILDERSOURCE} ${GETOPT_SOURCE})
595 gezelter 1812 target_link_libraries(nanorodBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
596 gezelter 1767 add_executable(nanorod_pentBuilder ${NANOROD_PENTBUILDERSOURCE} ${GETOPT_SOURCE})
597 gezelter 1812 target_link_libraries(nanorod_pentBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
598 gezelter 1767 add_executable(randomBuilder ${RANDOMBUILDERSOURCE} ${GETOPT_SOURCE})
599 gezelter 1812 target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
600 gezelter 1767 add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE} ${GETOPT_SOURCE})
601 gezelter 1812 target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
602 gezelter 1767 add_executable(thermalizer ${THERMALIZERSOURCE} ${GETOPT_SOURCE})
603 gezelter 1812 target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core openmd_single)
604 gezelter 1639
605     if (OPENBABEL2_FOUND)
606     set (ATOM2MDSOURCE
607     src/applications/atom2md/atom2md.cpp
608     src/applications/atom2md/openmdformat.cpp
609     )
610 gezelter 1767 add_executable(atom2md ${ATOM2MDSOURCE} ${GETOPT_SOURCE})
611 gezelter 1699 target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
612 gezelter 1647 INSTALL(TARGETS atom2md RUNTIME DESTINATION bin
613     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
614 gezelter 1639 ENDIF (OPENBABEL2_FOUND)
615    
616    
617     set(PY_FILES
618     src/applications/hydrodynamics/diffExplainer
619     src/applications/utilities/affineScale
620     src/applications/utilities/dumpConverter
621     src/applications/utilities/md-solvator
622     src/applications/utilities/md2md
623     src/applications/utilities/mdSplit
624     src/applications/utilities/principalAxisCalculator
625 gezelter 1798 src/applications/utilities/stat2thcond
626 gezelter 1639 src/applications/utilities/stat2visco
627     src/applications/utilities/waterRotator
628 gezelter 1668 src/applications/utilities/waterReplacer
629 gezelter 1639 )
630    
631     IF(PYTHON_EXECUTABLE)
632 gezelter 1798 IF(WIN32)
633     SET(PYEXT ".py")
634     ELSE(WIN32)
635     SET(PYEXT "")
636     ENDIF(WIN32)
637    
638     foreach(PY_FILE ${PY_FILES})
639     GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME)
640     CONFIGURE_FILE(${PY_FILE}
641     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}" @ONLY)
642     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}"
643     DESTINATION bin
644     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
645     endforeach(PY_FILE)
646 gezelter 1639 ENDIF(PYTHON_EXECUTABLE)
647    
648     set(PERL_FILES
649     src/applications/utilities/solvator
650     src/applications/utilities/waterBoxer
651     )
652    
653     IF(PERL_FOUND)
654 gezelter 1798 IF(WIN32)
655     SET(PLEXT ".PL")
656     ELSE(WIN32)
657     SET(PLEXT "")
658     ENDIF(WIN32)
659 gezelter 1647
660 gezelter 1798 foreach(PERL_FILE ${PERL_FILES})
661     GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME)
662     configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}" @ONLY)
663     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}"
664     DESTINATION bin
665     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
666    
667     endforeach(PERL_FILE)
668 gezelter 1639 ENDIF(PERL_FOUND)
669 gezelter 1647
670 gezelter 1812
671 gezelter 1652 INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION .
672 gezelter 1647 PERMISSIONS OWNER_READ GROUP_READ WORLD_READ)
673     INSTALL(TARGETS
674     openmd_core
675     openmd_single
676     openmd
677     Dump2XYZ
678     simpleBuilder
679     StaticProps
680     DynamicProps
681     randomBuilder
682     nanoparticleBuilder
683 gezelter 1812 nanorodBuilder
684     nanorod_pentBuilder
685 gezelter 1647 thermalizer
686     Hydro
687     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
688     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
689     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
690     )
691    
692     install(DIRECTORY forceFields/
693     DESTINATION forceFields
694 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
695     PATTERN ".svn" EXCLUDE
696 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
697     install(DIRECTORY samples/
698     DESTINATION samples
699 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
700     PATTERN ".svn" EXCLUDE
701 gezelter 1651 PATTERN "*.dump" EXCLUDE
702     PATTERN "*.stat" EXCLUDE
703 gezelter 1798 PATTERN "*.eor" EXCLUDE
704     PATTERN "*.rnemd" EXCLUDE
705 gezelter 1812 PATTERN "*.fz" EXCLUDE
706 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
707 gezelter 1812
708     configure_file( samples/builders/runMe.in
709     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe" @ONLY)
710     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe"
711     DESTINATION samples/builders
712     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
713    
714    
715 gezelter 1651 INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf"
716     DESTINATION doc
717     PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
718 gezelter 1694
719     message( STATUS)
720     message( STATUS "========== OpenMD Build Information ==========")
721     message( STATUS "Current revision ........... = ${SVN_REV}")
722     message( STATUS "CMAKE_SYSTEM ............... = ${CMAKE_SYSTEM}")
723     message( STATUS "==============================================")
724     message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}")
725     message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}")
726 gezelter 1695 message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}")
727 gezelter 1694 message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}")
728     message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}")
729     message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}")
730     message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}")
731 gezelter 1699 message( STATUS "OPENBABEL2_ROOT ............ = ${OPENBABEL2_ROOT}")
732 gezelter 1694 message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}")
733     message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}")
734 gezelter 1695 message( STATUS "QHULL_ROOT ................. = ${QHULL_ROOT}")
735 gezelter 1694 message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}")
736     message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}")
737 gezelter 1695 message( STATUS "ZLIB_ROOT .................. = ${ZLIB_ROOT}")
738 gezelter 1694 message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}")
739     message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}")
740 gezelter 1699 message( STATUS "FFTW3_ROOT ................. = ${FFTW3_ROOT}")
741 gezelter 1694 message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}")
742     message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}")
743 gezelter 1695 message( STATUS "PERL_EXECUTABLE ............ = ${PERL_EXECUTABLE}")
744     message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON_EXECUTABLE}")
745 gezelter 1694 message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}")
746 gezelter 1695 message( STATUS )
747 gezelter 1696 message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command" )
748     message( STATUS "Particularly useful defines are for:")
749     message( STATUS )
750 gezelter 1699 message( STATUS " -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} (where OpenMD will be installed)")
751     message( STATUS " -DOPENBABEL2_ROOT=/path/to/openbabel")
752     message( STATUS " -DQHULL_ROOT=/path/to/qhull")
753     message( STATUS " -DFFTW3_ROOT=/path/to/fftw3")
754 gezelter 1696 message( STATUS )
755 gezelter 1830 IF(WIN32)
756     message( STATUS "To build and install OpenMD, enter: ")
757     message( STATUS " msbuild /m ALL_BUILD.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
758     message( STATUS "followed by:")
759     message( STATUS " msbuild /m INSTALL.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
760     ELSE(WIN32)
761     message( STATUS "To build and install OpenMD, enter \"make\" and \"make install\"")
762     ENDIF(WIN32)
763 gezelter 1696 message( STATUS )
764 gezelter 1798
765     # build a CPack driven installer package
766     IF(NOT DEFINED CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS)
767     SET(CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS ON)
768     ENDIF()
769     include (InstallRequiredSystemLibraries)
770     set (CPACK_RESOURCE_FILE_LICENSE
771     "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
772     set (CPACK_PACKAGE_VERSION_MAJOR "${VERSION_MAJOR}")
773     set (CPACK_PACKAGE_VERSION_MINOR "${VERSION_MINOR}")
774     include (CPack)