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root/OpenMD/trunk/CMakeLists.txt
Revision: 1954
Committed: Thu Dec 5 18:21:15 2013 UTC (11 years, 7 months ago) by gezelter
Content type: text/plain
File size: 28153 byte(s)
Log Message: 
Forgot a few things in the makefile

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 1879 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 1790 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 1790 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" "${PROJECT_SOURCE_DIR}"
83     )
84 gezelter 1836 ELSE()
85     SET(SVN_REV Release)
86     ADD_DEFINITIONS( -DSVN_REV=Release )
87 gezelter 1636 ENDIF()
88    
89 gezelter 1694 check_include_file_cxx(conio.h HAVE_CONIO_H)
90     check_cxx_symbol_exists(strncasecmp "string.h" HAVE_STRNCASECMP)
91 gezelter 1668
92 chuckv 1466 # Optional libraries: If we can find these, we will build with them
93     # Look for OpenBabel libraries
94 chuckv 1496 find_package(OpenBabel2)
95     IF(OPENBABEL2_FOUND)
96     SET(USE_OPENBABEL)
97     include_directories(${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 1879 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 gezelter 1879 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/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 gezelter 1954 src/primitives/ShortRangeInteraction.cpp
342 gezelter 1639 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 gezelter 1954 src/selection/SelectionSet.cpp
356 gezelter 1639 src/types/AtomStamp.cpp
357     src/types/AtomType.cpp
358     src/types/BendStamp.cpp
359     src/types/BondStamp.cpp
360     src/types/CharmmTorsionType.cpp
361     src/types/Component.cpp
362     src/types/CutoffGroupStamp.cpp
363 gezelter 1710 src/types/DirectionalAdapter.cpp
364     src/types/EAMAdapter.cpp
365     src/types/FixedChargeAdapter.cpp
366     src/types/FluctuatingChargeAdapter.cpp
367 gezelter 1639 src/types/FragmentStamp.cpp
368 gezelter 1710 src/types/GayBerneAdapter.cpp
369 gezelter 1639 src/types/ImproperCosineInversionType.cpp
370     src/types/InversionStamp.cpp
371 gezelter 1710 src/types/LennardJonesAdapter.cpp
372 gezelter 1639 src/types/MoleculeStamp.cpp
373 gezelter 1710 src/types/MultipoleAdapter.cpp
374 gezelter 1639 src/types/NonBondedInteractionType.cpp
375 gezelter 1710 src/types/PolarizableAdapter.cpp
376 gezelter 1639 src/types/RestraintStamp.cpp
377     src/types/RigidBodyStamp.cpp
378     src/types/ShapeAtomType.cpp
379 gezelter 1710 src/types/StickyAdapter.cpp
380     src/types/SuttonChenAdapter.cpp
381 gezelter 1639 src/types/TorsionStamp.cpp
382     src/types/ZconsStamp.cpp
383     src/utils/ElementsTable.cpp
384     src/utils/MoLocator.cpp
385     src/utils/PropertyMap.cpp
386     src/utils/StringTokenizer.cpp
387     src/utils/StringUtils.cpp
388     src/utils/Trim.cpp
389     src/utils/Utility.cpp
390     src/utils/wildcards.cpp
391     src/visitors/AtomNameVisitor.cpp
392     src/visitors/AtomVisitor.cpp
393     src/visitors/CompositeVisitor.cpp
394     src/visitors/LipidTransVisitor.cpp
395     src/visitors/OtherVisitor.cpp
396     src/visitors/ReplacementVisitor.cpp
397     src/visitors/RigidBodyVisitor.cpp
398     src/visitors/ZconsVisitor.cpp
399 gezelter 1731 src/rnemd/RNEMDParameters.cpp
400 gezelter 1879 src/clusters/Icosahedron.cpp
401     src/clusters/Decahedron.cpp
402 gezelter 1639 )
403 chuckv 1466
404 gezelter 1639 set( PARALLEL_SOURCE
405     src/brains/ForceManager.cpp
406     src/brains/SimCreator.cpp
407     src/brains/SimInfo.cpp
408     src/brains/Thermo.cpp
409     src/constraints/ZconstraintForceManager.cpp
410 gezelter 1743 src/flucq/FluctuatingChargeConstraints.cpp
411     src/flucq/FluctuatingChargeObjectiveFunction.cpp
412 gezelter 1730 src/integrators/LangevinHullForceManager.cpp
413 gezelter 1731 src/rnemd/RNEMD.cpp
414 gezelter 1639 src/integrators/Velocitizer.cpp
415     src/io/DumpReader.cpp
416     src/io/DumpWriter.cpp
417     src/io/RestReader.cpp
418     src/io/RestWriter.cpp
419     src/io/StatWriter.cpp
420     src/io/ZConsWriter.cpp
421     src/io/ifstrstream.cpp
422     src/math/ParallelRandNumGen.cpp
423 gezelter 1926 src/nonbonded/Electrostatic.cpp
424 gezelter 1639 src/parallel/ForceDecomposition.cpp
425     src/parallel/ForceMatrixDecomposition.cpp
426     src/restraints/RestraintForceManager.cpp
427     src/restraints/ThermoIntegrationForceManager.cpp
428 gezelter 1802 src/selection/DistanceFinder.cpp
429 gezelter 1639 src/utils/ProgressBar.cpp
430 gezelter 1668 src/utils/simError.cpp
431 gezelter 1802 src/utils/OpenMDBitSet.cpp
432 gezelter 1743 src/optimization/Problem.cpp
433 gezelter 1639 )
434    
435 gezelter 1767 IF(ZLIB_FOUND)
436     set(ZLIB_SOURCE
437     src/io/gzstream.cpp
438     )
439     ENDIF(ZLIB_FOUND)
440    
441 gezelter 1639 IF(QHULL_FOUND)
442     set(QHULL_SOURCE
443     src/integrators/LangevinHullDynamics.cpp
444     src/math/Triangle.cpp
445     )
446     set(QHULL_PARALLEL_SOURCE
447     src/integrators/LangevinHullForceManager.cpp
448     src/math/ConvexHull.cpp
449     src/math/AlphaHull.cpp
450     )
451     ENDIF(QHULL_FOUND)
452    
453 gezelter 1767 IF(WIN32)
454     set(GETOPT_SOURCE
455 gezelter 1795 src/utils/wingetopt.cpp
456 gezelter 1767 )
457     ENDIF(WIN32)
458    
459     add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ${ZLIB_SOURCE} )
460 gezelter 1639 add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
461    
462     IF(MPI_FOUND)
463     add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} )
464     set_target_properties(openmd_parallel PROPERTIES
465     COMPILE_DEFINITIONS IS_MPI
466     )
467     ENDIF(MPI_FOUND)
468    
469     add_executable(openmd src/applications/openmd/openmd.cpp)
470     target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core)
471    
472     if (MPI_FOUND)
473     add_executable(openmd_MPI src/applications/openmd/openmd.cpp)
474     set_target_properties(openmd_MPI PROPERTIES
475     COMPILE_DEFINITIONS IS_MPI
476     )
477     target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
478 gezelter 1647 INSTALL(TARGETS
479     openmd_parallel openmd_MPI
480     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
481     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
482     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
483     )
484 gezelter 1639 ENDIF (MPI_FOUND)
485    
486     set (DUMP2XYZSOURCE
487     src/applications/dump2Xyz/Dump2XYZ.cpp
488 gezelter 1655 src/applications/dump2Xyz/Dump2XYZCmd.cpp
489 gezelter 1639 )
490    
491     set (DYNAMICPROPSSOURCE
492     src/applications/dynamicProps/ActionCorrFunc.cpp
493     src/applications/dynamicProps/CrossTimeCorrFunc.cpp
494     src/applications/dynamicProps/DipoleCorrFunc.cpp
495     src/applications/dynamicProps/DirectionalRCorrFunc.cpp
496     src/applications/dynamicProps/DynamicProps.cpp
497     src/applications/dynamicProps/EnergyCorrFunc.cpp
498     src/applications/dynamicProps/FrameTimeCorrFunc.cpp
499     src/applications/dynamicProps/LegendreCorrFunc.cpp
500 gezelter 1915 src/applications/dynamicProps/LegendreCorrFuncZ.cpp
501 gezelter 1934 src/applications/dynamicProps/cOHz.cpp
502 gezelter 1639 src/applications/dynamicProps/MomentumCorrFunc.cpp
503     src/applications/dynamicProps/ParticleTimeCorrFunc.cpp
504 gezelter 1954 src/applications/dynamicProps/InteractionTimeCorrFunc.cpp
505 gezelter 1639 src/applications/dynamicProps/RadialRCorrFunc.cpp
506     src/applications/dynamicProps/RCorrFunc.cpp
507 gezelter 1811 src/applications/dynamicProps/SelectionCorrFunc.cpp
508 gezelter 1639 src/applications/dynamicProps/StressCorrFunc.cpp
509     src/applications/dynamicProps/SystemDipoleCorrFunc.cpp
510     src/applications/dynamicProps/ThetaCorrFunc.cpp
511     src/applications/dynamicProps/TimeCorrFunc.cpp
512     src/applications/dynamicProps/VCorrFunc.cpp
513 gezelter 1954 src/applications/dynamicProps/BondCorrFunc.cpp
514 gezelter 1655 src/applications/dynamicProps/DynamicPropsCmd.cpp
515 gezelter 1639 )
516    
517     set (HYDROSOURCE
518     src/applications/hydrodynamics/AnalyticalModel.cpp
519     src/applications/hydrodynamics/ApproximationModel.cpp
520     src/applications/hydrodynamics/BeadModel.cpp
521     src/applications/hydrodynamics/CompositeShape.cpp
522     src/applications/hydrodynamics/Hydro.cpp
523     src/applications/hydrodynamics/HydrodynamicsModel.cpp
524     src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
525     src/applications/hydrodynamics/RoughShell.cpp
526     src/applications/hydrodynamics/ShapeBuilder.cpp
527 gezelter 1655 src/applications/hydrodynamics/HydroCmd.cpp
528 gezelter 1639 )
529    
530     set (STATICPROPSSOURCE
531     src/applications/staticProps/AngleR.cpp
532     src/applications/staticProps/BondAngleDistribution.cpp
533     src/applications/staticProps/BondOrderParameter.cpp
534     src/applications/staticProps/BOPofR.cpp
535     src/applications/staticProps/DensityPlot.cpp
536     src/applications/staticProps/GofAngle2.cpp
537     src/applications/staticProps/GofR.cpp
538     src/applications/staticProps/GofRAngle.cpp
539     src/applications/staticProps/GofRZ.cpp
540     src/applications/staticProps/GofXyz.cpp
541     src/applications/staticProps/GofZ.cpp
542     src/applications/staticProps/Hxy.cpp
543     src/applications/staticProps/NanoLength.cpp
544     src/applications/staticProps/NanoVolume.cpp
545     src/applications/staticProps/ObjectCount.cpp
546     src/applications/staticProps/P2OrderParameter.cpp
547     src/applications/staticProps/pAngle.cpp
548     src/applications/staticProps/RadialDistrFunc.cpp
549     src/applications/staticProps/RhoR.cpp
550     src/applications/staticProps/RhoZ.cpp
551     src/applications/staticProps/RippleOP.cpp
552 gezelter 1879 src/applications/staticProps/RNEMDStats.cpp
553 gezelter 1639 src/applications/staticProps/SCDOrderParameter.cpp
554 gezelter 1879 src/applications/staticProps/SpatialStatistics.cpp
555 gezelter 1639 src/applications/staticProps/StaticProps.cpp
556     src/applications/staticProps/TetrahedralityParam.cpp
557 gezelter 1763 src/applications/staticProps/TetrahedralityParamZ.cpp
558 gezelter 1639 src/applications/staticProps/TwoDGofR.cpp
559 gezelter 1655 src/applications/staticProps/StaticPropsCmd.cpp
560 gezelter 1639 )
561    
562     set (NANOPARTICLEBUILDERSOURCE
563     src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
564     src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
565 gezelter 1655 src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.cpp
566 gezelter 1639 )
567    
568 kstocke1 1701 set (NANORODBUILDERSOURCE
569     src/applications/nanoparticleBuilder/nanorodBuilder.cpp
570     src/applications/nanoparticleBuilder/shapedLatticeRod.cpp
571 gezelter 1879 src/applications/nanoparticleBuilder/shapedLatticeEllipsoid.cpp
572 kstocke1 1701 src/applications/nanoparticleBuilder/nanorodBuilderCmd.cpp
573     )
574    
575     set (NANOROD_PENTBUILDERSOURCE
576     src/applications/nanoparticleBuilder/nanorod_pentBuilder.cpp
577     src/applications/nanoparticleBuilder/nanorod_pentBuilderCmd.cpp
578     src/applications/nanoparticleBuilder/shapedLatticePentRod.cpp
579     )
580    
581 gezelter 1879 set (ICOSAHEDRALBUILDERSOURCE
582     src/applications/nanoparticleBuilder/icosahedralBuilder.cpp
583     src/applications/nanoparticleBuilder/icosahedralBuilderCmd.cpp
584     )
585    
586 gezelter 1639 set (RANDOMBUILDERSOURCE
587     src/applications/randomBuilder/randomBuilder.cpp
588 gezelter 1655 src/applications/randomBuilder/randomBuilderCmd.cpp
589 gezelter 1639 )
590    
591     set(SIMPLEBUILDERSOURCE
592     src/applications/simpleBuilder/simpleBuilder.cpp
593 gezelter 1655 src/applications/simpleBuilder/simpleBuilderCmd.cpp
594 gezelter 1639 )
595    
596     set(THERMALIZERSOURCE
597     src/applications/thermalizer/thermalizer.cpp
598 gezelter 1655 src/applications/thermalizer/thermalizerCmd.cpp
599 gezelter 1639 )
600    
601 gezelter 1879 set(RECENTERSOURCE
602     src/applications/recenter/recenter.cpp
603     src/applications/recenter/recenterCmd.cpp
604     )
605    
606 gezelter 1767 add_executable(Dump2XYZ ${DUMP2XYZSOURCE} ${GETOPT_SOURCE})
607 gezelter 1639 target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core)
608 gezelter 1767 add_executable(DynamicProps ${DYNAMICPROPSSOURCE} ${GETOPT_SOURCE})
609 gezelter 1639 target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core)
610 gezelter 1767 add_executable(Hydro ${HYDROSOURCE} ${GETOPT_SOURCE})
611 gezelter 1639 target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core)
612 gezelter 1767 add_executable(StaticProps ${STATICPROPSSOURCE} ${GETOPT_SOURCE})
613 gezelter 1639 target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core)
614 gezelter 1767 add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE} ${GETOPT_SOURCE})
615 gezelter 1807 target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
616 gezelter 1767 add_executable(nanorodBuilder ${NANORODBUILDERSOURCE} ${GETOPT_SOURCE})
617 gezelter 1807 target_link_libraries(nanorodBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
618 gezelter 1767 add_executable(nanorod_pentBuilder ${NANOROD_PENTBUILDERSOURCE} ${GETOPT_SOURCE})
619 gezelter 1807 target_link_libraries(nanorod_pentBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
620 gezelter 1879 add_executable(icosahedralBuilder ${ICOSAHEDRALBUILDERSOURCE} ${GETOPT_SOURCE})
621     target_link_libraries(icosahedralBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
622 gezelter 1767 add_executable(randomBuilder ${RANDOMBUILDERSOURCE} ${GETOPT_SOURCE})
623 gezelter 1807 target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
624 gezelter 1767 add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE} ${GETOPT_SOURCE})
625 gezelter 1807 target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core openmd_single)
626 gezelter 1767 add_executable(thermalizer ${THERMALIZERSOURCE} ${GETOPT_SOURCE})
627 gezelter 1807 target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core openmd_single)
628 gezelter 1879 add_executable(recenter ${RECENTERSOURCE} ${GETOPT_SOURCE})
629     target_link_libraries(recenter openmd_single openmd_core openmd_single openmd_core openmd_single)
630 gezelter 1639
631     if (OPENBABEL2_FOUND)
632     set (ATOM2MDSOURCE
633     src/applications/atom2md/atom2md.cpp
634     src/applications/atom2md/openmdformat.cpp
635     )
636 gezelter 1767 add_executable(atom2md ${ATOM2MDSOURCE} ${GETOPT_SOURCE})
637 gezelter 1699 target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
638 gezelter 1647 INSTALL(TARGETS atom2md RUNTIME DESTINATION bin
639     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
640 gezelter 1639 ENDIF (OPENBABEL2_FOUND)
641    
642    
643     set(PY_FILES
644     src/applications/hydrodynamics/diffExplainer
645     src/applications/utilities/affineScale
646     src/applications/utilities/dumpConverter
647     src/applications/utilities/md-solvator
648     src/applications/utilities/md2md
649     src/applications/utilities/mdSplit
650     src/applications/utilities/principalAxisCalculator
651 gezelter 1795 src/applications/utilities/stat2thcond
652 gezelter 1639 src/applications/utilities/stat2visco
653     src/applications/utilities/waterRotator
654 gezelter 1668 src/applications/utilities/waterReplacer
655 gezelter 1639 )
656    
657     IF(PYTHON_EXECUTABLE)
658 gezelter 1795 IF(WIN32)
659     SET(PYEXT ".py")
660     ELSE(WIN32)
661     SET(PYEXT "")
662     ENDIF(WIN32)
663    
664     foreach(PY_FILE ${PY_FILES})
665     GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME)
666     CONFIGURE_FILE(${PY_FILE}
667     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}" @ONLY)
668     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PYEXT}"
669     DESTINATION bin
670     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
671     endforeach(PY_FILE)
672 gezelter 1639 ENDIF(PYTHON_EXECUTABLE)
673    
674     set(PERL_FILES
675     src/applications/utilities/solvator
676     src/applications/utilities/waterBoxer
677     )
678    
679     IF(PERL_FOUND)
680 gezelter 1795 IF(WIN32)
681     SET(PLEXT ".PL")
682     ELSE(WIN32)
683     SET(PLEXT "")
684     ENDIF(WIN32)
685 gezelter 1647
686 gezelter 1795 foreach(PERL_FILE ${PERL_FILES})
687     GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME)
688     configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}" @ONLY)
689     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}${PLEXT}"
690     DESTINATION bin
691     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
692    
693     endforeach(PERL_FILE)
694 gezelter 1639 ENDIF(PERL_FOUND)
695 gezelter 1647
696 gezelter 1806
697 gezelter 1652 INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION .
698 gezelter 1647 PERMISSIONS OWNER_READ GROUP_READ WORLD_READ)
699     INSTALL(TARGETS
700     openmd_core
701     openmd_single
702     openmd
703     Dump2XYZ
704     simpleBuilder
705     StaticProps
706     DynamicProps
707     randomBuilder
708     nanoparticleBuilder
709 gezelter 1806 nanorodBuilder
710     nanorod_pentBuilder
711 gezelter 1950 icosahedralBuilder
712 gezelter 1647 thermalizer
713 gezelter 1879 recenter
714 gezelter 1647 Hydro
715     RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
716     LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
717     ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
718     )
719    
720     install(DIRECTORY forceFields/
721     DESTINATION forceFields
722 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
723     PATTERN ".svn" EXCLUDE
724 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
725     install(DIRECTORY samples/
726     DESTINATION samples
727 gezelter 1650 DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
728     PATTERN ".svn" EXCLUDE
729 gezelter 1651 PATTERN "*.dump" EXCLUDE
730     PATTERN "*.stat" EXCLUDE
731 gezelter 1795 PATTERN "*.eor" EXCLUDE
732     PATTERN "*.rnemd" EXCLUDE
733 gezelter 1806 PATTERN "*.fz" EXCLUDE
734 gezelter 1647 PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
735 gezelter 1806
736     configure_file( samples/builders/runMe.in
737     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe" @ONLY)
738     INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/runMe"
739     DESTINATION samples/builders
740     PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
741    
742    
743 gezelter 1651 INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf"
744     DESTINATION doc
745     PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
746 gezelter 1694
747     message( STATUS)
748     message( STATUS "========== OpenMD Build Information ==========")
749     message( STATUS "Current revision ........... = ${SVN_REV}")
750     message( STATUS "CMAKE_SYSTEM ............... = ${CMAKE_SYSTEM}")
751     message( STATUS "==============================================")
752     message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}")
753     message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}")
754 gezelter 1695 message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}")
755 gezelter 1694 message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}")
756     message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}")
757     message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}")
758     message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}")
759 gezelter 1699 message( STATUS "OPENBABEL2_ROOT ............ = ${OPENBABEL2_ROOT}")
760 gezelter 1694 message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}")
761     message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}")
762 gezelter 1695 message( STATUS "QHULL_ROOT ................. = ${QHULL_ROOT}")
763 gezelter 1694 message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}")
764     message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}")
765 gezelter 1695 message( STATUS "ZLIB_ROOT .................. = ${ZLIB_ROOT}")
766 gezelter 1694 message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}")
767     message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}")
768 gezelter 1699 message( STATUS "FFTW3_ROOT ................. = ${FFTW3_ROOT}")
769 gezelter 1694 message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}")
770     message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}")
771 gezelter 1695 message( STATUS "PERL_EXECUTABLE ............ = ${PERL_EXECUTABLE}")
772     message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON_EXECUTABLE}")
773 gezelter 1694 message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}")
774 gezelter 1695 message( STATUS )
775 gezelter 1696 message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command" )
776     message( STATUS "Particularly useful defines are for:")
777     message( STATUS )
778 gezelter 1699 message( STATUS " -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} (where OpenMD will be installed)")
779     message( STATUS " -DOPENBABEL2_ROOT=/path/to/openbabel")
780     message( STATUS " -DQHULL_ROOT=/path/to/qhull")
781     message( STATUS " -DFFTW3_ROOT=/path/to/fftw3")
782 gezelter 1696 message( STATUS )
783 gezelter 1790 IF(WIN32)
784     message( STATUS "To build and install OpenMD, enter: ")
785     message( STATUS " msbuild /m ALL_BUILD.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
786     message( STATUS "followed by:")
787     message( STATUS " msbuild /m INSTALL.vcxproj /p:Configuration=${CMAKE_BUILD_TYPE}")
788     ELSE(WIN32)
789     message( STATUS "To build and install OpenMD, enter \"make\" and \"make install\"")
790     ENDIF(WIN32)
791 gezelter 1696 message( STATUS )
792 gezelter 1795
793     # build a CPack driven installer package
794     IF(NOT DEFINED CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS)
795     SET(CMAKE_INSTALL_SYSTEM_RUNTIME_LIBS_NO_WARNINGS ON)
796     ENDIF()
797     include (InstallRequiredSystemLibraries)
798     set (CPACK_RESOURCE_FILE_LICENSE
799     "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
800     set (CPACK_PACKAGE_VERSION_MAJOR "${VERSION_MAJOR}")
801     set (CPACK_PACKAGE_VERSION_MINOR "${VERSION_MINOR}")
802     include (CPack)