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root/OpenMD/branches/development/CMakeLists.txt
Revision: 1866
Committed: Thu Apr 25 14:32:56 2013 UTC (12 years ago) by gezelter
Content type: text/plain
File size: 27858 byte(s)
Log Message: 
Fixes for Qhull static build strangeness

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 1866 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 kstocke1 1857 recenter
200 gezelter 1639 atom2md
201     Hydro)
202 chuckv 1466
203 gezelter 1639 set(SOURCE
204     src/antlr/ANTLRUtil.cpp
205     src/antlr/ASTFactory.cpp
206     src/antlr/ASTNULLType.cpp
207     src/antlr/ASTRefCount.cpp
208     src/antlr/BaseAST.cpp
209     src/antlr/BitSet.cpp
210     src/antlr/CharBuffer.cpp
211     src/antlr/CharScanner.cpp
212     src/antlr/CommonAST.cpp
213     src/antlr/CommonASTWithHiddenTokens.cpp
214     src/antlr/CommonHiddenStreamToken.cpp
215     src/antlr/CommonToken.cpp
216     src/antlr/InputBuffer.cpp
217     src/antlr/LLkParser.cpp
218     src/antlr/MismatchedCharException.cpp
219     src/antlr/MismatchedTokenException.cpp
220     src/antlr/NoViableAltException.cpp
221     src/antlr/NoViableAltForCharException.cpp
222     src/antlr/Parser.cpp
223     src/antlr/RecognitionException.cpp
224     src/antlr/String.cpp
225     src/antlr/Token.cpp
226     src/antlr/TokenBuffer.cpp
227     src/antlr/TokenRefCount.cpp
228     src/antlr/TokenStreamBasicFilter.cpp
229     src/antlr/TokenStreamHiddenTokenFilter.cpp
230     src/antlr/TokenStreamRewriteEngine.cpp
231     src/antlr/TokenStreamSelector.cpp
232     src/antlr/TreeParser.cpp
233     src/brains/BlockSnapshotManager.cpp
234     src/brains/DataStorage.cpp
235 gezelter 1725 src/brains/ForceField.cpp
236 gezelter 1639 src/brains/MoleculeCreator.cpp
237     src/brains/PairList.cpp
238     src/brains/Register.cpp
239     src/brains/SimSnapshotManager.cpp
240     src/brains/Snapshot.cpp
241     src/brains/Stats.cpp
242 gezelter 1748 src/constraints/Shake.cpp
243 gezelter 1639 src/constraints/Rattle.cpp
244     src/hydrodynamics/Ellipsoid.cpp
245     src/hydrodynamics/HydroProp.cpp
246     src/hydrodynamics/Sphere.cpp
247     src/integrators/DLM.cpp
248 gezelter 1766 src/flucq/FluctuatingChargeLangevin.cpp
249 gezelter 1743 src/flucq/FluctuatingChargeParameters.cpp
250 gezelter 1731 src/flucq/FluctuatingChargeNVT.cpp
251 gezelter 1743 src/flucq/FluctuatingChargePropagator.cpp
252 gezelter 1639 src/integrators/Integrator.cpp
253     src/integrators/IntegratorFactory.cpp
254     src/integrators/LangevinDynamics.cpp
255     src/integrators/LDForceManager.cpp
256     src/integrators/NgammaT.cpp
257     src/integrators/NPAT.cpp
258     src/integrators/NPrT.cpp
259     src/integrators/NPT.cpp
260     src/integrators/NPTf.cpp
261     src/integrators/NPTi.cpp
262     src/integrators/NPTsz.cpp
263     src/integrators/NPTxyz.cpp
264     src/integrators/NVE.cpp
265     src/integrators/NVT.cpp
266     src/integrators/VelocityVerletIntegrator.cpp
267     src/io/AtomTypesSectionParser.cpp
268     src/io/BaseAtomTypesSectionParser.cpp
269     src/io/BendTypesSectionParser.cpp
270     src/io/BondTypesSectionParser.cpp
271     src/io/ChargeAtomTypesSectionParser.cpp
272     src/io/DirectionalAtomTypesSectionParser.cpp
273     src/io/EAMAtomTypesSectionParser.cpp
274 gezelter 1710 src/io/FluctuatingChargeAtomTypesSectionParser.cpp
275 gezelter 1639 src/io/ForceFieldOptions.cpp
276     src/io/GayBerneAtomTypesSectionParser.cpp
277     src/io/Globals.cpp
278     src/io/InversionTypesSectionParser.cpp
279     src/io/LennardJonesAtomTypesSectionParser.cpp
280     src/io/MultipoleAtomTypesSectionParser.cpp
281     src/io/NonBondedInteractionsSectionParser.cpp
282     src/io/OptionSectionParser.cpp
283     src/io/ParamConstraint.cpp
284 gezelter 1710 src/io/PolarizableAtomTypesSectionParser.cpp
285 gezelter 1639 src/io/SCAtomTypesSectionParser.cpp
286     src/io/SectionParser.cpp
287     src/io/SectionParserManager.cpp
288     src/io/ShapeAtomTypesSectionParser.cpp
289     src/io/StickyAtomTypesSectionParser.cpp
290     src/io/StickyPowerAtomTypesSectionParser.cpp
291     src/io/TorsionTypesSectionParser.cpp
292     src/io/ZConsReader.cpp
293     src/lattice/CubicLattice.cpp
294     src/lattice/FCCLattice.cpp
295     src/lattice/Lattice.cpp
296     src/lattice/LatticeFactory.cpp
297     src/lattice/shapedLattice.cpp
298     src/math/ChebyshevT.cpp
299     src/math/ChebyshevU.cpp
300     src/math/CubicSpline.cpp
301     src/math/LegendrePolynomial.cpp
302     src/math/RealSphericalHarmonic.cpp
303     src/math/RMSD.cpp
304     src/math/SeqRandNumGen.cpp
305     src/math/SphericalHarmonic.cpp
306     src/math/Wigner3jm.cpp
307     src/mdParser/FilenameObserver.cpp
308     src/mdParser/MDLexer.cpp
309     src/mdParser/MDParser.cpp
310     src/mdParser/MDTreeParser.cpp
311 gezelter 1743 src/optimization/OptimizationFactory.cpp
312     src/optimization/Armijo.cpp
313     src/optimization/BFGS.cpp
314     src/optimization/ConjugateGradient.cpp
315     src/optimization/Constraint.cpp
316     src/optimization/EndCriteria.cpp
317     src/optimization/LineSearch.cpp
318     src/optimization/LineSearchBasedMethod.cpp
319     src/optimization/SteepestDescent.cpp
320     src/optimization/PotentialEnergyObjectiveFunction.cpp
321 gezelter 1746 src/optimization/MinimizerParameters.cpp
322 gezelter 1639 src/nonbonded/EAM.cpp
323     src/nonbonded/Electrostatic.cpp
324     src/nonbonded/GB.cpp
325     src/nonbonded/InteractionManager.cpp
326     src/nonbonded/LJ.cpp
327     src/nonbonded/MAW.cpp
328     src/nonbonded/Morse.cpp
329     src/nonbonded/RepulsivePower.cpp
330     src/nonbonded/SC.cpp
331     src/nonbonded/Sticky.cpp
332     src/nonbonded/SwitchingFunction.cpp
333     src/primitives/Atom.cpp
334     src/primitives/Bend.cpp
335     src/primitives/DirectionalAtom.cpp
336     src/primitives/GhostBend.cpp
337     src/primitives/GhostTorsion.cpp
338     src/primitives/Inversion.cpp
339     src/primitives/Molecule.cpp
340     src/primitives/RigidBody.cpp
341     src/primitives/StuntDouble.cpp
342     src/primitives/Torsion.cpp
343     src/primitives/UreyBradleyBend.cpp
344 jmarr 1780 src/perturbations/ElectricField.cpp
345 gezelter 1639 src/restraints/MolecularRestraint.cpp
346     src/restraints/ObjectRestraint.cpp
347     src/selection/HullFinder.cpp
348     src/selection/IndexFinder.cpp
349     src/selection/NameFinder.cpp
350     src/selection/SelectionCompiler.cpp
351     src/selection/SelectionEvaluator.cpp
352     src/selection/SelectionManager.cpp
353     src/selection/SelectionToken.cpp
354     src/selection/TokenMap.cpp
355     src/types/AtomStamp.cpp
356     src/types/AtomType.cpp
357     src/types/BendStamp.cpp
358     src/types/BondStamp.cpp
359     src/types/CharmmTorsionType.cpp
360     src/types/Component.cpp
361     src/types/CutoffGroupStamp.cpp
362 gezelter 1710 src/types/DirectionalAdapter.cpp
363     src/types/EAMAdapter.cpp
364     src/types/FixedChargeAdapter.cpp
365     src/types/FluctuatingChargeAdapter.cpp
366 gezelter 1639 src/types/FragmentStamp.cpp
367 gezelter 1710 src/types/GayBerneAdapter.cpp
368 gezelter 1639 src/types/ImproperCosineInversionType.cpp
369     src/types/InversionStamp.cpp
370 gezelter 1710 src/types/LennardJonesAdapter.cpp
371 gezelter 1639 src/types/MoleculeStamp.cpp
372 gezelter 1710 src/types/MultipoleAdapter.cpp
373 gezelter 1639 src/types/NonBondedInteractionType.cpp
374 gezelter 1710 src/types/PolarizableAdapter.cpp
375 gezelter 1639 src/types/RestraintStamp.cpp
376     src/types/RigidBodyStamp.cpp
377     src/types/ShapeAtomType.cpp
378 gezelter 1710 src/types/StickyAdapter.cpp
379     src/types/SuttonChenAdapter.cpp
380 gezelter 1639 src/types/TorsionStamp.cpp
381     src/types/ZconsStamp.cpp
382     src/utils/ElementsTable.cpp
383     src/utils/MoLocator.cpp
384     src/utils/PropertyMap.cpp
385     src/utils/StringTokenizer.cpp
386     src/utils/StringUtils.cpp
387     src/utils/Trim.cpp
388     src/utils/Utility.cpp
389     src/utils/wildcards.cpp
390     src/visitors/AtomNameVisitor.cpp
391     src/visitors/AtomVisitor.cpp
392     src/visitors/CompositeVisitor.cpp
393     src/visitors/LipidTransVisitor.cpp
394     src/visitors/OtherVisitor.cpp
395     src/visitors/ReplacementVisitor.cpp
396     src/visitors/RigidBodyVisitor.cpp
397     src/visitors/ZconsVisitor.cpp
398 gezelter 1731 src/rnemd/RNEMDParameters.cpp
399 gezelter 1862 src/clusters/Icosahedron.cpp
400     src/clusters/Decahedron.cpp
401 gezelter 1639 )
402 chuckv 1466
403 gezelter 1639 set( PARALLEL_SOURCE
404     src/brains/ForceManager.cpp
405     src/brains/SimCreator.cpp
406     src/brains/SimInfo.cpp
407     src/brains/Thermo.cpp
408     src/constraints/ZconstraintForceManager.cpp
409 gezelter 1743 src/flucq/FluctuatingChargeConstraints.cpp
410     src/flucq/FluctuatingChargeObjectiveFunction.cpp
411 gezelter 1730 src/integrators/LangevinHullForceManager.cpp
412 gezelter 1731 src/rnemd/RNEMD.cpp
413 gezelter 1639 src/integrators/Velocitizer.cpp
414     src/io/DumpReader.cpp
415     src/io/DumpWriter.cpp
416     src/io/RestReader.cpp
417     src/io/RestWriter.cpp
418     src/io/StatWriter.cpp
419     src/io/ZConsWriter.cpp
420     src/io/ifstrstream.cpp
421     src/math/ParallelRandNumGen.cpp
422     src/parallel/ForceDecomposition.cpp
423     src/parallel/ForceMatrixDecomposition.cpp
424     src/restraints/RestraintForceManager.cpp
425     src/restraints/ThermoIntegrationForceManager.cpp
426 gezelter 1803 src/selection/DistanceFinder.cpp
427 gezelter 1639 src/utils/ProgressBar.cpp
428 gezelter 1668 src/utils/simError.cpp
429 gezelter 1803 src/utils/OpenMDBitSet.cpp
430 gezelter 1743 src/optimization/Problem.cpp
431 gezelter 1639 )
432    
433 gezelter 1767 IF(ZLIB_FOUND)
434     set(ZLIB_SOURCE
435     src/io/gzstream.cpp
436     )
437     ENDIF(ZLIB_FOUND)
438    
439 gezelter 1639 IF(QHULL_FOUND)
440     set(QHULL_SOURCE
441     src/integrators/LangevinHullDynamics.cpp
442     src/math/Triangle.cpp
443     )
444     set(QHULL_PARALLEL_SOURCE
445     src/integrators/LangevinHullForceManager.cpp
446     src/math/ConvexHull.cpp
447     src/math/AlphaHull.cpp
448     )
449     ENDIF(QHULL_FOUND)
450    
451 gezelter 1767 IF(WIN32)
452     set(GETOPT_SOURCE
453 gezelter 1798 src/utils/wingetopt.cpp
454 gezelter 1767 )
455     ENDIF(WIN32)
456    
457     add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ${ZLIB_SOURCE} )
458 gezelter 1639 add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
459    
460     IF(MPI_FOUND)
461     add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
462     set_target_properties(openmd_parallel PROPERTIES
463     COMPILE_DEFINITIONS IS_MPI
464     )
465     ENDIF(MPI_FOUND)
466    
467     add_executable(openmd src/applications/openmd/openmd.cpp)
468     target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core)
469    
470     if (MPI_FOUND)
471     add_executable(openmd_MPI src/applications/openmd/openmd.cpp)
472     set_target_properties(openmd_MPI PROPERTIES
473     COMPILE_DEFINITIONS IS_MPI
474     )
475     target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
476 gezelter 1647 INSTALL(TARGETS
477     openmd_parallel openmd_MPI
478     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
479     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
480     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
481     )
482 gezelter 1639 ENDIF (MPI_FOUND)
483    
484     set (DUMP2XYZSOURCE
485     src/applications/dump2Xyz/Dump2XYZ.cpp
486 gezelter 1655 src/applications/dump2Xyz/Dump2XYZCmd.cpp
487 gezelter 1639 )
488    
489     set (DYNAMICPROPSSOURCE
490     src/applications/dynamicProps/ActionCorrFunc.cpp
491     src/applications/dynamicProps/CrossTimeCorrFunc.cpp
492     src/applications/dynamicProps/DipoleCorrFunc.cpp
493     src/applications/dynamicProps/DirectionalRCorrFunc.cpp
494     src/applications/dynamicProps/DynamicProps.cpp
495     src/applications/dynamicProps/EnergyCorrFunc.cpp
496     src/applications/dynamicProps/FrameTimeCorrFunc.cpp
497     src/applications/dynamicProps/LegendreCorrFunc.cpp
498     src/applications/dynamicProps/MomentumCorrFunc.cpp
499     src/applications/dynamicProps/ParticleTimeCorrFunc.cpp
500     src/applications/dynamicProps/RadialRCorrFunc.cpp
501     src/applications/dynamicProps/RCorrFunc.cpp
502 gezelter 1812 src/applications/dynamicProps/SelectionCorrFunc.cpp
503 gezelter 1639 src/applications/dynamicProps/StressCorrFunc.cpp
504     src/applications/dynamicProps/SystemDipoleCorrFunc.cpp
505     src/applications/dynamicProps/ThetaCorrFunc.cpp
506     src/applications/dynamicProps/TimeCorrFunc.cpp
507     src/applications/dynamicProps/VCorrFunc.cpp
508 gezelter 1655 src/applications/dynamicProps/DynamicPropsCmd.cpp
509 gezelter 1639 )
510    
511     set (HYDROSOURCE
512     src/applications/hydrodynamics/AnalyticalModel.cpp
513     src/applications/hydrodynamics/ApproximationModel.cpp
514     src/applications/hydrodynamics/BeadModel.cpp
515     src/applications/hydrodynamics/CompositeShape.cpp
516     src/applications/hydrodynamics/Hydro.cpp
517     src/applications/hydrodynamics/HydrodynamicsModel.cpp
518     src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
519     src/applications/hydrodynamics/RoughShell.cpp
520     src/applications/hydrodynamics/ShapeBuilder.cpp
521 gezelter 1655 src/applications/hydrodynamics/HydroCmd.cpp
522 gezelter 1639 )
523    
524     set (STATICPROPSSOURCE
525     src/applications/staticProps/AngleR.cpp
526     src/applications/staticProps/BondAngleDistribution.cpp
527     src/applications/staticProps/BondOrderParameter.cpp
528     src/applications/staticProps/BOPofR.cpp
529     src/applications/staticProps/DensityPlot.cpp
530     src/applications/staticProps/GofAngle2.cpp
531     src/applications/staticProps/GofR.cpp
532     src/applications/staticProps/GofRAngle.cpp
533     src/applications/staticProps/GofRZ.cpp
534     src/applications/staticProps/GofXyz.cpp
535     src/applications/staticProps/GofZ.cpp
536     src/applications/staticProps/Hxy.cpp
537     src/applications/staticProps/NanoLength.cpp
538     src/applications/staticProps/NanoVolume.cpp
539     src/applications/staticProps/ObjectCount.cpp
540     src/applications/staticProps/P2OrderParameter.cpp
541     src/applications/staticProps/pAngle.cpp
542     src/applications/staticProps/RadialDistrFunc.cpp
543     src/applications/staticProps/RhoR.cpp
544     src/applications/staticProps/RhoZ.cpp
545     src/applications/staticProps/RippleOP.cpp
546 gezelter 1865 src/applications/staticProps/RNEMDStats.cpp
547 gezelter 1639 src/applications/staticProps/SCDOrderParameter.cpp
548 gezelter 1865 src/applications/staticProps/SpatialStatistics.cpp
549 gezelter 1639 src/applications/staticProps/StaticProps.cpp
550     src/applications/staticProps/TetrahedralityParam.cpp
551 gezelter 1763 src/applications/staticProps/TetrahedralityParamZ.cpp
552 gezelter 1639 src/applications/staticProps/TwoDGofR.cpp
553 gezelter 1655 src/applications/staticProps/StaticPropsCmd.cpp
554 gezelter 1639 )
555    
556     set (NANOPARTICLEBUILDERSOURCE
557     src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
558     src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
559 gezelter 1655 src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.cpp
560 gezelter 1639 )
561    
562 kstocke1 1701 set (NANORODBUILDERSOURCE
563     src/applications/nanoparticleBuilder/nanorodBuilder.cpp
564     src/applications/nanoparticleBuilder/shapedLatticeRod.cpp
565 gezelter 1864 src/applications/nanoparticleBuilder/shapedLatticeEllipsoid.cpp
566 kstocke1 1701 src/applications/nanoparticleBuilder/nanorodBuilderCmd.cpp
567     )
568    
569     set (NANOROD_PENTBUILDERSOURCE
570     src/applications/nanoparticleBuilder/nanorod_pentBuilder.cpp
571     src/applications/nanoparticleBuilder/nanorod_pentBuilderCmd.cpp
572     src/applications/nanoparticleBuilder/shapedLatticePentRod.cpp
573     )
574    
575 gezelter 1860 set (ICOSAHEDRALBUILDERSOURCE
576     src/applications/nanoparticleBuilder/icosahedralBuilder.cpp
577     src/applications/nanoparticleBuilder/icosahedralBuilderCmd.cpp
578     )
579    
580 gezelter 1639 set (RANDOMBUILDERSOURCE
581     src/applications/randomBuilder/randomBuilder.cpp
582 gezelter 1655 src/applications/randomBuilder/randomBuilderCmd.cpp
583 gezelter 1639 )
584    
585     set(SIMPLEBUILDERSOURCE
586     src/applications/simpleBuilder/simpleBuilder.cpp
587 gezelter 1655 src/applications/simpleBuilder/simpleBuilderCmd.cpp
588 gezelter 1639 )
589    
590     set(THERMALIZERSOURCE
591     src/applications/thermalizer/thermalizer.cpp
592 gezelter 1655 src/applications/thermalizer/thermalizerCmd.cpp
593 gezelter 1639 )
594    
595 kstocke1 1857 set(RECENTERSOURCE
596     src/applications/recenter/recenter.cpp
597     src/applications/recenter/recenterCmd.cpp
598     )
599    
600 gezelter 1767 add_executable(Dump2XYZ ${DUMP2XYZSOURCE} ${GETOPT_SOURCE})
601 gezelter 1639 target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core)
602 gezelter 1767 add_executable(DynamicProps ${DYNAMICPROPSSOURCE} ${GETOPT_SOURCE})
603 gezelter 1639 target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core)
604 gezelter 1767 add_executable(Hydro ${HYDROSOURCE} ${GETOPT_SOURCE})
605 gezelter 1639 target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core)
606 gezelter 1767 add_executable(StaticProps ${STATICPROPSSOURCE} ${GETOPT_SOURCE})
607 gezelter 1639 target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core)
608 gezelter 1767 add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE} ${GETOPT_SOURCE})
609 gezelter 1812 target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
610 gezelter 1767 add_executable(nanorodBuilder ${NANORODBUILDERSOURCE} ${GETOPT_SOURCE})
611 gezelter 1812 target_link_libraries(nanorodBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
612 gezelter 1767 add_executable(nanorod_pentBuilder ${NANOROD_PENTBUILDERSOURCE} ${GETOPT_SOURCE})
613 gezelter 1812 target_link_libraries(nanorod_pentBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
614 gezelter 1860 add_executable(icosahedralBuilder ${ICOSAHEDRALBUILDERSOURCE} ${GETOPT_SOURCE})
615     target_link_libraries(icosahedralBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
616 gezelter 1767 add_executable(randomBuilder ${RANDOMBUILDERSOURCE} ${GETOPT_SOURCE})
617 gezelter 1812 target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
618 gezelter 1767 add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE} ${GETOPT_SOURCE})
619 gezelter 1812 target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
620 gezelter 1767 add_executable(thermalizer ${THERMALIZERSOURCE} ${GETOPT_SOURCE})
621 gezelter 1812 target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core openmd_single)
622 kstocke1 1857 add_executable(recenter ${RECENTERSOURCE} ${GETOPT_SOURCE})
623     target_link_libraries(recenter openmd_single openmd_core openmd_single openmd_core openmd_single)
624 gezelter 1639
625     if (OPENBABEL2_FOUND)
626     set (ATOM2MDSOURCE
627     src/applications/atom2md/atom2md.cpp
628     src/applications/atom2md/openmdformat.cpp
629     )
630 gezelter 1767 add_executable(atom2md ${ATOM2MDSOURCE} ${GETOPT_SOURCE})
631 gezelter 1699 target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
632 gezelter 1647 INSTALL(TARGETS atom2md RUNTIME DESTINATION bin
633     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
634 gezelter 1639 ENDIF (OPENBABEL2_FOUND)
635    
636    
637     set(PY_FILES
638     src/applications/hydrodynamics/diffExplainer
639     src/applications/utilities/affineScale
640     src/applications/utilities/dumpConverter
641     src/applications/utilities/md-solvator
642     src/applications/utilities/md2md
643     src/applications/utilities/mdSplit
644     src/applications/utilities/principalAxisCalculator
645 gezelter 1798 src/applications/utilities/stat2thcond
646 gezelter 1639 src/applications/utilities/stat2visco
647     src/applications/utilities/waterRotator
648 gezelter 1668 src/applications/utilities/waterReplacer
649 gezelter 1639 )
650    
651     IF(PYTHON_EXECUTABLE)
652 gezelter 1798 IF(WIN32)
653     SET(PYEXT ".py")
654     ELSE(WIN32)
655     SET(PYEXT "")
656     ENDIF(WIN32)
657    
658     foreach(PY_FILE ${PY_FILES})
659     GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME)
660     CONFIGURE_FILE(${PY_FILE}
661     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}" @ONLY)
662     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}"
663     DESTINATION bin
664     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
665     endforeach(PY_FILE)
666 gezelter 1639 ENDIF(PYTHON_EXECUTABLE)
667    
668     set(PERL_FILES
669     src/applications/utilities/solvator
670     src/applications/utilities/waterBoxer
671     )
672    
673     IF(PERL_FOUND)
674 gezelter 1798 IF(WIN32)
675     SET(PLEXT ".PL")
676     ELSE(WIN32)
677     SET(PLEXT "")
678     ENDIF(WIN32)
679 gezelter 1647
680 gezelter 1798 foreach(PERL_FILE ${PERL_FILES})
681     GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME)
682     configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}" @ONLY)
683     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}"
684     DESTINATION bin
685     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
686    
687     endforeach(PERL_FILE)
688 gezelter 1639 ENDIF(PERL_FOUND)
689 gezelter 1647
690 gezelter 1812
691 gezelter 1652 INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION .
692 gezelter 1647 PERMISSIONS OWNER_READ GROUP_READ WORLD_READ)
693     INSTALL(TARGETS
694     openmd_core
695     openmd_single
696     openmd
697     Dump2XYZ
698     simpleBuilder
699     StaticProps
700     DynamicProps
701     randomBuilder
702     nanoparticleBuilder
703 gezelter 1812 nanorodBuilder
704     nanorod_pentBuilder
705 gezelter 1647 thermalizer
706 kstocke1 1857 recenter
707 gezelter 1647 Hydro
708     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
709     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
710     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
711     )
712    
713     install(DIRECTORY forceFields/
714     DESTINATION forceFields
715 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
716     PATTERN ".svn" EXCLUDE
717 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
718     install(DIRECTORY samples/
719     DESTINATION samples
720 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
721     PATTERN ".svn" EXCLUDE
722 gezelter 1651 PATTERN "*.dump" EXCLUDE
723     PATTERN "*.stat" EXCLUDE
724 gezelter 1798 PATTERN "*.eor" EXCLUDE
725     PATTERN "*.rnemd" EXCLUDE
726 gezelter 1812 PATTERN "*.fz" EXCLUDE
727 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
728 gezelter 1812
729     configure_file( samples/builders/runMe.in
730     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe" @ONLY)
731     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe"
732     DESTINATION samples/builders
733     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
734    
735    
736 gezelter 1651 INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf"
737     DESTINATION doc
738     PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
739 gezelter 1694
740     message( STATUS)
741     message( STATUS "========== OpenMD Build Information ==========")
742     message( STATUS "Current revision ........... = ${SVN_REV}")
743     message( STATUS "CMAKE_SYSTEM ............... = ${CMAKE_SYSTEM}")
744     message( STATUS "==============================================")
745     message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}")
746     message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}")
747 gezelter 1695 message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}")
748 gezelter 1694 message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}")
749     message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}")
750     message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}")
751     message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}")
752 gezelter 1699 message( STATUS "OPENBABEL2_ROOT ............ = ${OPENBABEL2_ROOT}")
753 gezelter 1694 message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}")
754     message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}")
755 gezelter 1695 message( STATUS "QHULL_ROOT ................. = ${QHULL_ROOT}")
756 gezelter 1694 message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}")
757     message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}")
758 gezelter 1695 message( STATUS "ZLIB_ROOT .................. = ${ZLIB_ROOT}")
759 gezelter 1694 message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}")
760     message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}")
761 gezelter 1699 message( STATUS "FFTW3_ROOT ................. = ${FFTW3_ROOT}")
762 gezelter 1694 message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}")
763     message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}")
764 gezelter 1695 message( STATUS "PERL_EXECUTABLE ............ = ${PERL_EXECUTABLE}")
765     message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON_EXECUTABLE}")
766 gezelter 1694 message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}")
767 gezelter 1695 message( STATUS )
768 gezelter 1696 message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command" )
769     message( STATUS "Particularly useful defines are for:")
770     message( STATUS )
771 gezelter 1699 message( STATUS " -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} (where OpenMD will be installed)")
772     message( STATUS " -DOPENBABEL2_ROOT=/path/to/openbabel")
773     message( STATUS " -DQHULL_ROOT=/path/to/qhull")
774     message( STATUS " -DFFTW3_ROOT=/path/to/fftw3")
775 gezelter 1696 message( STATUS )
776 gezelter 1830 IF(WIN32)
777     message( STATUS "To build and install OpenMD, enter: ")
778     message( STATUS " msbuild /m ALL_BUILD.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
779     message( STATUS "followed by:")
780     message( STATUS " msbuild /m INSTALL.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
781     ELSE(WIN32)
782     message( STATUS "To build and install OpenMD, enter \"make\" and \"make install\"")
783     ENDIF(WIN32)
784 gezelter 1696 message( STATUS )
785 gezelter 1798
786     # build a CPack driven installer package
787     IF(NOT DEFINED CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS)
788     SET(CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS ON)
789     ENDIF()
790     include (InstallRequiredSystemLibraries)
791     set (CPACK_RESOURCE_FILE_LICENSE
792     "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
793     set (CPACK_PACKAGE_VERSION_MAJOR "${VERSION_MAJOR}")
794     set (CPACK_PACKAGE_VERSION_MINOR "${VERSION_MINOR}")
795     include (CPack)