| 1 | chuckv | 1466 | # Top level cmake script for OpenMD. | 
| 2 |  |  |  | 
| 3 |  |  | cmake_minimum_required (VERSION 2.6) | 
| 4 |  |  | project(OpenMD) | 
| 5 |  |  |  | 
| 6 |  |  | # OpenMD version number. | 
| 7 | chuckv | 1496 | set (VERSION_MAJOR "2") | 
| 8 |  |  | set (VERSION_MINOR "0") | 
| 9 |  |  | set (VERSION_TINY "0") | 
| 10 | chuckv | 1466 |  | 
| 11 |  |  | # cmake modules that are needed to build oopse | 
| 12 | gezelter | 1639 | SET(CMAKE_MODULE_PATH ${OpenMD_SOURCE_DIR}/cmake/modules) | 
| 13 | gezelter | 1647 | IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) | 
| 14 |  |  | SET(CMAKE_INSTALL_PREFIX | 
| 15 |  |  | "/usr/local/openmd" CACHE PATH "OpenMD install prefix" FORCE | 
| 16 |  |  | ) | 
| 17 |  |  | ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) | 
| 18 | chuckv | 1466 |  | 
| 19 | gezelter | 1647 | # ---------- Setup output Directories ------------------------- | 
| 20 |  |  | SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY | 
| 21 |  |  | ${PROJECT_BINARY_DIR}/lib | 
| 22 |  |  | CACHE PATH | 
| 23 |  |  | "Single directory for all shared libraries" | 
| 24 |  |  | ) | 
| 25 |  |  | # --------- Setup the Executable output Directory ------------- | 
| 26 |  |  | SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY | 
| 27 |  |  | ${PROJECT_BINARY_DIR}/bin | 
| 28 |  |  | CACHE PATH | 
| 29 |  |  | "Single directory for all Executables." | 
| 30 |  |  | ) | 
| 31 |  |  | # --------- Setup the static library directory ------------- | 
| 32 |  |  | SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY | 
| 33 |  |  | ${PROJECT_BINARY_DIR}/lib | 
| 34 |  |  | CACHE PATH | 
| 35 |  |  | "Single directory for all static libraries." | 
| 36 |  |  | ) | 
| 37 |  |  |  | 
| 38 |  |  |  | 
| 39 | gezelter | 1626 | enable_language(CXX  C) | 
| 40 | chuckv | 1466 |  | 
| 41 | gezelter | 1636 | if ( APPLE ) | 
| 42 |  |  | set(MPI_COMPILER /opt/local/lib/openmpi/bin/mpic++) | 
| 43 |  |  | set(MPI_LIBRARY "MPI_LIBRARY-NOTFOUND" ) | 
| 44 |  |  | endif( APPLE ) | 
| 45 |  |  | FIND_PACKAGE(MPI) | 
| 46 |  |  | IF ( MPI_FOUND ) | 
| 47 |  |  | SET(CMAKE_REQUIRED_INCLUDES "${MPI_INCLUDE_PATH};${CMAKE_REQUIRED_INCLUDES}") | 
| 48 |  |  | INCLUDE_DIRECTORIES(${MPI_INCLUDE_PATH}) | 
| 49 |  |  | ENDIF() | 
| 50 |  |  |  | 
| 51 |  |  | FIND_PACKAGE(Subversion) | 
| 52 |  |  | IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn ) | 
| 53 |  |  | Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project) | 
| 54 |  |  | MESSAGE("Current revision is ${Project_WC_REVISION}") | 
| 55 |  |  | Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project) | 
| 56 |  |  | SET(SVN_REV ${Project_WC_REVISION}) | 
| 57 |  |  | ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} ) | 
| 58 |  |  | ENDIF() | 
| 59 |  |  |  | 
| 60 | chuckv | 1466 | # Optional libraries: If we can find these, we will build with them | 
| 61 |  |  | # Look for OpenBabel libraries | 
| 62 | chuckv | 1496 | find_package(OpenBabel2) | 
| 63 |  |  | IF(OPENBABEL2_FOUND) | 
| 64 |  |  | SET(USE_OPENBABEL) | 
| 65 |  |  | include_directories(${OPENBABEL2_INCLUDE_DIR}) | 
| 66 |  |  | message(STATUS "Openbabel libs: " ${OPENBABEL2_LIBRARIES}) | 
| 67 |  |  | #  TARGET_LINK_LIBRARIES(${OPENBABEL2_LIBRARIES}) | 
| 68 |  |  | ENDIF(OPENBABEL2_FOUND) | 
| 69 |  |  |  | 
| 70 | chuckv | 1466 | #Look for QHULL Libraries | 
| 71 |  |  | find_package(QHULL) | 
| 72 | chuckv | 1496 | IF(QHULL_FOUND) | 
| 73 |  |  | SET(HAVE_QHULL 1) | 
| 74 | chuckv | 1500 | include_directories(${QHULL_INCLUDE_DIR}) | 
| 75 | chuckv | 1496 | LINK_LIBRARIES(${QHULL_LIBRARIES}) | 
| 76 |  |  | ENDIF(QHULL_FOUND) | 
| 77 | chuckv | 1466 |  | 
| 78 |  |  |  | 
| 79 | chuckv | 1496 | # zlib stuff | 
| 80 |  |  | find_package(ZLIB) | 
| 81 |  |  | if(ZLIB_FOUND) | 
| 82 |  |  | SET(HAVE_LIBZ 1) | 
| 83 |  |  | add_definitions(-DHAVE_LIBZ) | 
| 84 |  |  | include_directories(${ZLIB_INCLUDE_DIR}) | 
| 85 |  |  | LINK_LIBRARIES(${ZLIB_LIBRARIES}) | 
| 86 |  |  | endif(ZLIB_FOUND) | 
| 87 |  |  |  | 
| 88 |  |  | #FFTW | 
| 89 |  |  | INCLUDE(${CMAKE_MODULE_PATH}/FindFFTW.cmake) | 
| 90 |  |  | IF(FFTW_FOUND) | 
| 91 |  |  | SET(HAVE_LIBFFTW 1) | 
| 92 |  |  | SET(HAVE_FFTW3_H) | 
| 93 |  |  | INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR}) | 
| 94 |  |  | LINK_LIBRARIES(${FFTW_LIBRARIES}) | 
| 95 |  |  | ENDIF(FFTW_FOUND) | 
| 96 |  |  |  | 
| 97 |  |  |  | 
| 98 |  |  | #include checks | 
| 99 |  |  | include(CheckIncludeFile) | 
| 100 |  |  | CHECK_INCLUDE_FILE(fftw3.h HAVE_FFTW3_H) | 
| 101 |  |  | CHECK_INCLUDE_FILE(fftw.h HAVE_FFWT_H) | 
| 102 |  |  | CHECK_INCLUDE_FILE(dfftw.h HAVE_DFFTW_H) | 
| 103 |  |  | CHECK_INCLUDE_FILE(cmath.h HAVE_CMATH_H) | 
| 104 | gezelter | 1636 | check_include_file(limits.h HAVE_LIMITS_H) | 
| 105 |  |  | check_include_file(stdlib.h HAVE_STDLIB_H) | 
| 106 |  |  | check_include_file(string.h HAVE_STRING_H) | 
| 107 |  |  | check_include_file("sys/ioctl.h" HAVE_SYS_IOCTL_H) | 
| 108 |  |  | check_include_file(unistd.h HAVE_UNISTD_H) | 
| 109 | chuckv | 1496 |  | 
| 110 |  |  | #symbol checks | 
| 111 |  |  | include(CheckSymbolExists) | 
| 112 |  |  |  | 
| 113 |  |  | #function checks | 
| 114 |  |  | include(CheckFunctionExists) | 
| 115 | gezelter | 1636 | check_function_exists(atexit HAVE_ATEXIT) | 
| 116 | chuckv | 1496 | check_function_exists(floor HAVE_FLOOR) | 
| 117 | gezelter | 1636 | check_function_exists(pow HAVE_POW) | 
| 118 |  |  | check_function_exists(select HAVE_SELECT) | 
| 119 |  |  | check_function_exists(sqrt HAVE_SQRT) | 
| 120 |  |  | check_function_exists(strcasecmp HAVE_STRCASECMP) | 
| 121 |  |  | check_function_exists(strchr HAVE_STRCHR) | 
| 122 |  |  | check_function_exists(strdup HAVE_STRDUP) | 
| 123 |  |  | check_function_exists(strncasecmp HAVE_STRNCASECMP) | 
| 124 |  |  | check_function_exists(strstr HAVE_STRSTR) | 
| 125 |  |  | check_function_exists(strtol HAVE_STRTOL) | 
| 126 |  |  | check_function_exists(strtoull HAVE_STRTOULL) | 
| 127 |  |  | check_function_exists(sysmp HAVE_SYSMP) | 
| 128 |  |  | check_function_exists(table HAVE_TABLE) | 
| 129 | chuckv | 1496 |  | 
| 130 |  |  |  | 
| 131 | gezelter | 1639 | FIND_PACKAGE(Perl) | 
| 132 |  |  | IF(PERL_FOUND) | 
| 133 |  |  | SET(PERL ${PERL_EXECUTABLE}) | 
| 134 |  |  | ELSE(PERL_FOUND) | 
| 135 |  |  | MESSAGE(STATUS "Failed to find perl") | 
| 136 |  |  | ENDIF(PERL_FOUND) | 
| 137 |  |  |  | 
| 138 |  |  | FIND_PACKAGE(PythonInterp) | 
| 139 |  |  | IF(PYTHON_EXECUTABLE) | 
| 140 |  |  | SET(PYTHON ${PYTHON_EXECUTABLE}) | 
| 141 |  |  | ELSE(PYTHON_EXECUTABLE) | 
| 142 |  |  | MESSAGE(STATUS "Failed to find python") | 
| 143 |  |  | ENDIF(PYTHON_EXECUTABLE) | 
| 144 |  |  |  | 
| 145 |  |  | SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations") | 
| 146 |  |  |  | 
| 147 |  |  |  | 
| 148 | chuckv | 1496 | configure_file ( | 
| 149 |  |  | "${PROJECT_SOURCE_DIR}/src/config.h.cmake" | 
| 150 |  |  | "${PROJECT_SOURCE_DIR}/src/config.h" | 
| 151 |  |  | ) | 
| 152 |  |  | include_directories (${PROJECT_SOURCE_DIR}/src) | 
| 153 |  |  |  | 
| 154 |  |  | #CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/config.h.in ${CMAKE_CURRENT_BINARY_DIR}/config.h) | 
| 155 |  |  |  | 
| 156 |  |  |  | 
| 157 | chuckv | 1466 | #Add executables for build | 
| 158 | gezelter | 1639 | set (PROGRAMS | 
| 159 |  |  | openmd | 
| 160 |  |  | openmd_MPI | 
| 161 |  |  | Dump2XYZ | 
| 162 |  |  | simpleBuilder | 
| 163 |  |  | StaticProps | 
| 164 |  |  | DynamicProps | 
| 165 |  |  | randomBuilder | 
| 166 |  |  | nanoparticleBuilder | 
| 167 |  |  | thermalizer | 
| 168 |  |  | atom2md | 
| 169 |  |  | Hydro) | 
| 170 | chuckv | 1466 |  | 
| 171 | gezelter | 1639 | set(SOURCE | 
| 172 |  |  | src/antlr/ANTLRUtil.cpp | 
| 173 |  |  | src/antlr/ASTFactory.cpp | 
| 174 |  |  | src/antlr/ASTNULLType.cpp | 
| 175 |  |  | src/antlr/ASTRefCount.cpp | 
| 176 |  |  | src/antlr/BaseAST.cpp | 
| 177 |  |  | src/antlr/BitSet.cpp | 
| 178 |  |  | src/antlr/CharBuffer.cpp | 
| 179 |  |  | src/antlr/CharScanner.cpp | 
| 180 |  |  | src/antlr/CommonAST.cpp | 
| 181 |  |  | src/antlr/CommonASTWithHiddenTokens.cpp | 
| 182 |  |  | src/antlr/CommonHiddenStreamToken.cpp | 
| 183 |  |  | src/antlr/CommonToken.cpp | 
| 184 |  |  | src/antlr/InputBuffer.cpp | 
| 185 |  |  | src/antlr/LLkParser.cpp | 
| 186 |  |  | src/antlr/MismatchedCharException.cpp | 
| 187 |  |  | src/antlr/MismatchedTokenException.cpp | 
| 188 |  |  | src/antlr/NoViableAltException.cpp | 
| 189 |  |  | src/antlr/NoViableAltForCharException.cpp | 
| 190 |  |  | src/antlr/Parser.cpp | 
| 191 |  |  | src/antlr/RecognitionException.cpp | 
| 192 |  |  | src/antlr/String.cpp | 
| 193 |  |  | src/antlr/Token.cpp | 
| 194 |  |  | src/antlr/TokenBuffer.cpp | 
| 195 |  |  | src/antlr/TokenRefCount.cpp | 
| 196 |  |  | src/antlr/TokenStreamBasicFilter.cpp | 
| 197 |  |  | src/antlr/TokenStreamHiddenTokenFilter.cpp | 
| 198 |  |  | src/antlr/TokenStreamRewriteEngine.cpp | 
| 199 |  |  | src/antlr/TokenStreamSelector.cpp | 
| 200 |  |  | src/antlr/TreeParser.cpp | 
| 201 |  |  | src/brains/BlockSnapshotManager.cpp | 
| 202 |  |  | src/brains/DataStorage.cpp | 
| 203 |  |  | src/brains/MoleculeCreator.cpp | 
| 204 |  |  | src/brains/PairList.cpp | 
| 205 |  |  | src/brains/Register.cpp | 
| 206 |  |  | src/brains/SimSnapshotManager.cpp | 
| 207 |  |  | src/brains/Snapshot.cpp | 
| 208 |  |  | src/brains/Stats.cpp | 
| 209 |  |  | src/constraints/Rattle.cpp | 
| 210 |  |  | src/hydrodynamics/Ellipsoid.cpp | 
| 211 |  |  | src/hydrodynamics/HydroProp.cpp | 
| 212 |  |  | src/hydrodynamics/Sphere.cpp | 
| 213 |  |  | src/integrators/DLM.cpp | 
| 214 |  |  | src/integrators/Integrator.cpp | 
| 215 |  |  | src/integrators/IntegratorFactory.cpp | 
| 216 |  |  | src/integrators/LangevinDynamics.cpp | 
| 217 |  |  | src/integrators/LDForceManager.cpp | 
| 218 |  |  | src/integrators/NgammaT.cpp | 
| 219 |  |  | src/integrators/NPAT.cpp | 
| 220 |  |  | src/integrators/NPrT.cpp | 
| 221 |  |  | src/integrators/NPT.cpp | 
| 222 |  |  | src/integrators/NPTf.cpp | 
| 223 |  |  | src/integrators/NPTi.cpp | 
| 224 |  |  | src/integrators/NPTsz.cpp | 
| 225 |  |  | src/integrators/NPTxyz.cpp | 
| 226 |  |  | src/integrators/NVE.cpp | 
| 227 |  |  | src/integrators/NVT.cpp | 
| 228 |  |  | src/integrators/VelocityVerletIntegrator.cpp | 
| 229 |  |  | src/io/AtomTypesSectionParser.cpp | 
| 230 |  |  | src/io/BaseAtomTypesSectionParser.cpp | 
| 231 |  |  | src/io/BendTypesSectionParser.cpp | 
| 232 |  |  | src/io/BondTypesSectionParser.cpp | 
| 233 |  |  | src/io/ChargeAtomTypesSectionParser.cpp | 
| 234 |  |  | src/io/DirectionalAtomTypesSectionParser.cpp | 
| 235 |  |  | src/io/EAMAtomTypesSectionParser.cpp | 
| 236 |  |  | src/io/ForceFieldOptions.cpp | 
| 237 |  |  | src/io/GayBerneAtomTypesSectionParser.cpp | 
| 238 |  |  | src/io/Globals.cpp | 
| 239 |  |  | src/io/gzstream.cpp | 
| 240 |  |  | src/io/InversionTypesSectionParser.cpp | 
| 241 |  |  | src/io/LennardJonesAtomTypesSectionParser.cpp | 
| 242 |  |  | src/io/MultipoleAtomTypesSectionParser.cpp | 
| 243 |  |  | src/io/NonBondedInteractionsSectionParser.cpp | 
| 244 |  |  | src/io/OptionSectionParser.cpp | 
| 245 |  |  | src/io/ParamConstraint.cpp | 
| 246 |  |  | src/io/SCAtomTypesSectionParser.cpp | 
| 247 |  |  | src/io/SectionParser.cpp | 
| 248 |  |  | src/io/SectionParserManager.cpp | 
| 249 |  |  | src/io/ShapeAtomTypesSectionParser.cpp | 
| 250 |  |  | src/io/StickyAtomTypesSectionParser.cpp | 
| 251 |  |  | src/io/StickyPowerAtomTypesSectionParser.cpp | 
| 252 |  |  | src/io/TorsionTypesSectionParser.cpp | 
| 253 |  |  | src/io/ZConsReader.cpp | 
| 254 |  |  | src/lattice/CubicLattice.cpp | 
| 255 |  |  | src/lattice/FCCLattice.cpp | 
| 256 |  |  | src/lattice/Lattice.cpp | 
| 257 |  |  | src/lattice/LatticeFactory.cpp | 
| 258 |  |  | src/lattice/shapedLattice.cpp | 
| 259 |  |  | src/math/ChebyshevT.cpp | 
| 260 |  |  | src/math/ChebyshevU.cpp | 
| 261 |  |  | src/math/CubicSpline.cpp | 
| 262 |  |  | src/math/LegendrePolynomial.cpp | 
| 263 |  |  | src/math/RealSphericalHarmonic.cpp | 
| 264 |  |  | src/math/RMSD.cpp | 
| 265 |  |  | src/math/SeqRandNumGen.cpp | 
| 266 |  |  | src/math/SphericalHarmonic.cpp | 
| 267 |  |  | src/math/Wigner3jm.cpp | 
| 268 |  |  | src/mdParser/FilenameObserver.cpp | 
| 269 |  |  | src/mdParser/MDLexer.cpp | 
| 270 |  |  | src/mdParser/MDParser.cpp | 
| 271 |  |  | src/mdParser/MDTreeParser.cpp | 
| 272 |  |  | src/minimizers/MinimizerFactory.cpp | 
| 273 |  |  | src/minimizers/MinimizerParameterSet.cpp | 
| 274 |  |  | src/nonbonded/EAM.cpp | 
| 275 |  |  | src/nonbonded/Electrostatic.cpp | 
| 276 |  |  | src/nonbonded/GB.cpp | 
| 277 |  |  | src/nonbonded/InteractionManager.cpp | 
| 278 |  |  | src/nonbonded/LJ.cpp | 
| 279 |  |  | src/nonbonded/MAW.cpp | 
| 280 |  |  | src/nonbonded/Morse.cpp | 
| 281 |  |  | src/nonbonded/RepulsivePower.cpp | 
| 282 |  |  | src/nonbonded/SC.cpp | 
| 283 |  |  | src/nonbonded/Sticky.cpp | 
| 284 |  |  | src/nonbonded/SwitchingFunction.cpp | 
| 285 |  |  | src/primitives/Atom.cpp | 
| 286 |  |  | src/primitives/Bend.cpp | 
| 287 |  |  | src/primitives/DirectionalAtom.cpp | 
| 288 |  |  | src/primitives/GhostBend.cpp | 
| 289 |  |  | src/primitives/GhostTorsion.cpp | 
| 290 |  |  | src/primitives/Inversion.cpp | 
| 291 |  |  | src/primitives/Molecule.cpp | 
| 292 |  |  | src/primitives/RigidBody.cpp | 
| 293 |  |  | src/primitives/StuntDouble.cpp | 
| 294 |  |  | src/primitives/Torsion.cpp | 
| 295 |  |  | src/primitives/UreyBradleyBend.cpp | 
| 296 |  |  | src/restraints/MolecularRestraint.cpp | 
| 297 |  |  | src/restraints/ObjectRestraint.cpp | 
| 298 |  |  | src/selection/DistanceFinder.cpp | 
| 299 |  |  | src/selection/HullFinder.cpp | 
| 300 |  |  | src/selection/IndexFinder.cpp | 
| 301 |  |  | src/selection/NameFinder.cpp | 
| 302 |  |  | src/selection/SelectionCompiler.cpp | 
| 303 |  |  | src/selection/SelectionEvaluator.cpp | 
| 304 |  |  | src/selection/SelectionManager.cpp | 
| 305 |  |  | src/selection/SelectionToken.cpp | 
| 306 |  |  | src/selection/TokenMap.cpp | 
| 307 |  |  | src/types/AtomStamp.cpp | 
| 308 |  |  | src/types/AtomType.cpp | 
| 309 |  |  | src/types/BendStamp.cpp | 
| 310 |  |  | src/types/BondStamp.cpp | 
| 311 |  |  | src/types/CharmmTorsionType.cpp | 
| 312 |  |  | src/types/Component.cpp | 
| 313 |  |  | src/types/CutoffGroupStamp.cpp | 
| 314 |  |  | src/types/DirectionalAtomType.cpp | 
| 315 |  |  | src/types/FragmentStamp.cpp | 
| 316 |  |  | src/types/ImproperCosineInversionType.cpp | 
| 317 |  |  | src/types/InversionStamp.cpp | 
| 318 |  |  | src/types/MoleculeStamp.cpp | 
| 319 |  |  | src/types/NonBondedInteractionType.cpp | 
| 320 |  |  | src/types/RestraintStamp.cpp | 
| 321 |  |  | src/types/RigidBodyStamp.cpp | 
| 322 |  |  | src/types/ShapeAtomType.cpp | 
| 323 |  |  | src/types/TorsionStamp.cpp | 
| 324 |  |  | src/types/ZconsStamp.cpp | 
| 325 |  |  | src/UseTheForce/Amber_FF.cpp | 
| 326 |  |  | src/UseTheForce/CLAYFF.cpp | 
| 327 |  |  | src/UseTheForce/DUFF.cpp | 
| 328 |  |  | src/UseTheForce/EADM_FF.cpp | 
| 329 |  |  | src/UseTheForce/EAM_FF.cpp | 
| 330 |  |  | src/UseTheForce/ForceField.cpp | 
| 331 |  |  | src/UseTheForce/ForceFieldFactory.cpp | 
| 332 |  |  | src/UseTheForce/MnM_FF.cpp | 
| 333 |  |  | src/UseTheForce/SC_FF.cpp | 
| 334 |  |  | src/UseTheForce/SHAPES_FF.cpp | 
| 335 |  |  | src/utils/ElementsTable.cpp | 
| 336 |  |  | src/utils/MoLocator.cpp | 
| 337 |  |  | src/utils/OpenMDBitSet.cpp | 
| 338 |  |  | src/utils/PropertyMap.cpp | 
| 339 |  |  | src/utils/StringTokenizer.cpp | 
| 340 |  |  | src/utils/StringUtils.cpp | 
| 341 |  |  | src/utils/Trim.cpp | 
| 342 |  |  | src/utils/Utility.cpp | 
| 343 |  |  | src/utils/wildcards.cpp | 
| 344 |  |  | src/visitors/AtomNameVisitor.cpp | 
| 345 |  |  | src/visitors/AtomVisitor.cpp | 
| 346 |  |  | src/visitors/CompositeVisitor.cpp | 
| 347 |  |  | src/visitors/LipidTransVisitor.cpp | 
| 348 |  |  | src/visitors/OtherVisitor.cpp | 
| 349 |  |  | src/visitors/ReplacementVisitor.cpp | 
| 350 |  |  | src/visitors/RigidBodyVisitor.cpp | 
| 351 |  |  | src/visitors/ZconsVisitor.cpp | 
| 352 |  |  | ) | 
| 353 | chuckv | 1466 |  | 
| 354 | gezelter | 1639 | set( PARALLEL_SOURCE | 
| 355 |  |  | src/brains/ForceManager.cpp | 
| 356 |  |  | src/brains/SimCreator.cpp | 
| 357 |  |  | src/brains/SimInfo.cpp | 
| 358 |  |  | src/brains/Thermo.cpp | 
| 359 |  |  | src/constraints/ZconstraintForceManager.cpp | 
| 360 |  |  | src/integrators/RNEMD.cpp | 
| 361 |  |  | src/integrators/Velocitizer.cpp | 
| 362 |  |  | src/io/DumpReader.cpp | 
| 363 |  |  | src/io/DumpWriter.cpp | 
| 364 |  |  | src/io/RestReader.cpp | 
| 365 |  |  | src/io/RestWriter.cpp | 
| 366 |  |  | src/io/StatWriter.cpp | 
| 367 |  |  | src/io/ZConsWriter.cpp | 
| 368 |  |  | src/io/ifstrstream.cpp | 
| 369 |  |  | src/math/ParallelRandNumGen.cpp | 
| 370 |  |  | src/minimizers/CGFamilyMinimizer.cpp | 
| 371 |  |  | src/minimizers/Minimizer.cpp | 
| 372 |  |  | src/minimizers/PRCG.cpp | 
| 373 |  |  | src/minimizers/SDMinimizer.cpp | 
| 374 |  |  | src/parallel/ForceDecomposition.cpp | 
| 375 |  |  | src/parallel/ForceMatrixDecomposition.cpp | 
| 376 |  |  | src/restraints/RestraintForceManager.cpp | 
| 377 |  |  | src/restraints/ThermoIntegrationForceManager.cpp | 
| 378 |  |  | src/utils/ProgressBar.cpp | 
| 379 |  |  | src/utils/simError.c | 
| 380 |  |  | ) | 
| 381 |  |  |  | 
| 382 |  |  | IF(QHULL_FOUND) | 
| 383 |  |  | set(QHULL_SOURCE | 
| 384 |  |  | src/integrators/LangevinHullDynamics.cpp | 
| 385 |  |  | src/math/Triangle.cpp | 
| 386 |  |  | ) | 
| 387 |  |  | set(QHULL_PARALLEL_SOURCE | 
| 388 |  |  | src/integrators/LangevinHullForceManager.cpp | 
| 389 |  |  | src/math/ConvexHull.cpp | 
| 390 |  |  | src/math/AlphaHull.cpp | 
| 391 |  |  | ) | 
| 392 |  |  | ENDIF(QHULL_FOUND) | 
| 393 |  |  |  | 
| 394 |  |  | add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ) | 
| 395 |  |  | add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} ) | 
| 396 |  |  |  | 
| 397 |  |  | IF(MPI_FOUND) | 
| 398 |  |  | add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} ) | 
| 399 |  |  | set_target_properties(openmd_parallel PROPERTIES | 
| 400 |  |  | COMPILE_DEFINITIONS IS_MPI | 
| 401 |  |  | ) | 
| 402 |  |  | ENDIF(MPI_FOUND) | 
| 403 |  |  |  | 
| 404 |  |  | add_executable(openmd src/applications/openmd/openmd.cpp) | 
| 405 |  |  | target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core) | 
| 406 |  |  |  | 
| 407 |  |  | if (MPI_FOUND) | 
| 408 |  |  | add_executable(openmd_MPI src/applications/openmd/openmd.cpp) | 
| 409 |  |  | set_target_properties(openmd_MPI PROPERTIES | 
| 410 |  |  | COMPILE_DEFINITIONS IS_MPI | 
| 411 |  |  | ) | 
| 412 |  |  | target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core) | 
| 413 | gezelter | 1647 | INSTALL(TARGETS | 
| 414 |  |  | openmd_parallel openmd_MPI | 
| 415 |  |  | RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE | 
| 416 |  |  | LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ | 
| 417 |  |  | ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ | 
| 418 |  |  | ) | 
| 419 | gezelter | 1639 | ENDIF (MPI_FOUND) | 
| 420 |  |  |  | 
| 421 |  |  | set (DUMP2XYZSOURCE | 
| 422 |  |  | src/applications/dump2Xyz/Dump2XYZ.cpp | 
| 423 |  |  | src/applications/dump2Xyz/Dump2XYZCmd.c | 
| 424 |  |  | ) | 
| 425 |  |  |  | 
| 426 |  |  | set (DYNAMICPROPSSOURCE | 
| 427 |  |  | src/applications/dynamicProps/ActionCorrFunc.cpp | 
| 428 |  |  | src/applications/dynamicProps/CrossTimeCorrFunc.cpp | 
| 429 |  |  | src/applications/dynamicProps/DipoleCorrFunc.cpp | 
| 430 |  |  | src/applications/dynamicProps/DirectionalRCorrFunc.cpp | 
| 431 |  |  | src/applications/dynamicProps/DynamicProps.cpp | 
| 432 |  |  | src/applications/dynamicProps/EnergyCorrFunc.cpp | 
| 433 |  |  | src/applications/dynamicProps/FrameTimeCorrFunc.cpp | 
| 434 |  |  | src/applications/dynamicProps/LegendreCorrFunc.cpp | 
| 435 |  |  | src/applications/dynamicProps/MomentumCorrFunc.cpp | 
| 436 |  |  | src/applications/dynamicProps/ParticleTimeCorrFunc.cpp | 
| 437 |  |  | src/applications/dynamicProps/RadialRCorrFunc.cpp | 
| 438 |  |  | src/applications/dynamicProps/RCorrFunc.cpp | 
| 439 |  |  | src/applications/dynamicProps/StressCorrFunc.cpp | 
| 440 |  |  | src/applications/dynamicProps/SystemDipoleCorrFunc.cpp | 
| 441 |  |  | src/applications/dynamicProps/ThetaCorrFunc.cpp | 
| 442 |  |  | src/applications/dynamicProps/TimeCorrFunc.cpp | 
| 443 |  |  | src/applications/dynamicProps/VCorrFunc.cpp | 
| 444 |  |  | src/applications/dynamicProps/DynamicPropsCmd.c | 
| 445 |  |  | ) | 
| 446 |  |  |  | 
| 447 |  |  | set (HYDROSOURCE | 
| 448 |  |  | src/applications/hydrodynamics/AnalyticalModel.cpp | 
| 449 |  |  | src/applications/hydrodynamics/ApproximationModel.cpp | 
| 450 |  |  | src/applications/hydrodynamics/BeadModel.cpp | 
| 451 |  |  | src/applications/hydrodynamics/CompositeShape.cpp | 
| 452 |  |  | src/applications/hydrodynamics/Hydro.cpp | 
| 453 |  |  | src/applications/hydrodynamics/HydrodynamicsModel.cpp | 
| 454 |  |  | src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp | 
| 455 |  |  | src/applications/hydrodynamics/RoughShell.cpp | 
| 456 |  |  | src/applications/hydrodynamics/ShapeBuilder.cpp | 
| 457 |  |  | src/applications/hydrodynamics/HydroCmd.c | 
| 458 |  |  | ) | 
| 459 |  |  |  | 
| 460 |  |  | set (STATICPROPSSOURCE | 
| 461 |  |  | src/applications/staticProps/AngleR.cpp | 
| 462 |  |  | src/applications/staticProps/BondAngleDistribution.cpp | 
| 463 |  |  | src/applications/staticProps/BondOrderParameter.cpp | 
| 464 |  |  | src/applications/staticProps/BOPofR.cpp | 
| 465 |  |  | src/applications/staticProps/DensityPlot.cpp | 
| 466 |  |  | src/applications/staticProps/GofAngle2.cpp | 
| 467 |  |  | src/applications/staticProps/GofR.cpp | 
| 468 |  |  | src/applications/staticProps/GofRAngle.cpp | 
| 469 |  |  | src/applications/staticProps/GofRZ.cpp | 
| 470 |  |  | src/applications/staticProps/GofXyz.cpp | 
| 471 |  |  | src/applications/staticProps/GofZ.cpp | 
| 472 |  |  | src/applications/staticProps/Hxy.cpp | 
| 473 |  |  | src/applications/staticProps/NanoLength.cpp | 
| 474 |  |  | src/applications/staticProps/NanoVolume.cpp | 
| 475 |  |  | src/applications/staticProps/ObjectCount.cpp | 
| 476 |  |  | src/applications/staticProps/P2OrderParameter.cpp | 
| 477 |  |  | src/applications/staticProps/pAngle.cpp | 
| 478 |  |  | src/applications/staticProps/RadialDistrFunc.cpp | 
| 479 |  |  | src/applications/staticProps/RhoR.cpp | 
| 480 |  |  | src/applications/staticProps/RhoZ.cpp | 
| 481 |  |  | src/applications/staticProps/RippleOP.cpp | 
| 482 |  |  | src/applications/staticProps/SCDOrderParameter.cpp | 
| 483 |  |  | src/applications/staticProps/StaticProps.cpp | 
| 484 |  |  | src/applications/staticProps/TetrahedralityParam.cpp | 
| 485 |  |  | src/applications/staticProps/TwoDGofR.cpp | 
| 486 |  |  | src/applications/staticProps/StaticPropsCmd.c | 
| 487 |  |  | ) | 
| 488 |  |  |  | 
| 489 |  |  | set (NANOPARTICLEBUILDERSOURCE | 
| 490 |  |  | src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp | 
| 491 |  |  | src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp | 
| 492 |  |  | src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.c | 
| 493 |  |  | ) | 
| 494 |  |  |  | 
| 495 |  |  | set (RANDOMBUILDERSOURCE | 
| 496 |  |  | src/applications/randomBuilder/randomBuilder.cpp | 
| 497 |  |  | src/applications/randomBuilder/randomBuilderCmd.c | 
| 498 |  |  | ) | 
| 499 |  |  |  | 
| 500 |  |  | set(SIMPLEBUILDERSOURCE | 
| 501 |  |  | src/applications/simpleBuilder/simpleBuilder.cpp | 
| 502 |  |  | src/applications/simpleBuilder/simpleBuilderCmd.c | 
| 503 |  |  | ) | 
| 504 |  |  |  | 
| 505 |  |  | set(THERMALIZERSOURCE | 
| 506 |  |  | src/applications/thermalizer/thermalizer.cpp | 
| 507 |  |  | src/applications/thermalizer/thermalizerCmd.c | 
| 508 |  |  | ) | 
| 509 |  |  |  | 
| 510 |  |  | add_executable(Dump2XYZ ${DUMP2XYZSOURCE}) | 
| 511 |  |  | target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core) | 
| 512 |  |  | add_executable(DynamicProps ${DYNAMICPROPSSOURCE}) | 
| 513 |  |  | target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core) | 
| 514 |  |  | add_executable(Hydro ${HYDROSOURCE}) | 
| 515 |  |  | target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core) | 
| 516 |  |  | add_executable(StaticProps ${STATICPROPSSOURCE}) | 
| 517 |  |  | target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core) | 
| 518 |  |  | add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE}) | 
| 519 |  |  | target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core) | 
| 520 |  |  | add_executable(randomBuilder ${RANDOMBUILDERSOURCE}) | 
| 521 |  |  | target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core) | 
| 522 |  |  | add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE}) | 
| 523 |  |  | target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core) | 
| 524 |  |  | add_executable(thermalizer ${THERMALIZERSOURCE}) | 
| 525 |  |  | target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core) | 
| 526 |  |  |  | 
| 527 |  |  | if (OPENBABEL2_FOUND) | 
| 528 |  |  | set (ATOM2MDSOURCE | 
| 529 |  |  | src/applications/atom2md/atom2md.cpp | 
| 530 |  |  | src/applications/atom2md/openmdformat.cpp | 
| 531 |  |  | ) | 
| 532 |  |  | add_executable(atom2md ${ATOM2MDSOURCE}) | 
| 533 |  |  | target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES}) | 
| 534 | gezelter | 1647 | INSTALL(TARGETS atom2md RUNTIME DESTINATION bin | 
| 535 |  |  | PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) | 
| 536 | gezelter | 1639 | ENDIF (OPENBABEL2_FOUND) | 
| 537 |  |  |  | 
| 538 |  |  |  | 
| 539 |  |  | set(PY_FILES | 
| 540 |  |  | src/applications/hydrodynamics/diffExplainer | 
| 541 |  |  | src/applications/utilities/affineScale | 
| 542 |  |  | src/applications/utilities/dumpConverter | 
| 543 |  |  | src/applications/utilities/md-solvator | 
| 544 |  |  | src/applications/utilities/md2md | 
| 545 |  |  | src/applications/utilities/mdSplit | 
| 546 |  |  | src/applications/utilities/principalAxisCalculator | 
| 547 |  |  | src/applications/utilities/stat2visco | 
| 548 |  |  | src/applications/utilities/waterRotator | 
| 549 |  |  | ) | 
| 550 |  |  |  | 
| 551 |  |  | IF(PYTHON_EXECUTABLE) | 
| 552 |  |  | foreach(PY_FILE ${PY_FILES}) | 
| 553 | gezelter | 1647 | GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME) | 
| 554 |  |  | CONFIGURE_FILE(${PY_FILE} | 
| 555 |  |  | "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY) | 
| 556 |  |  | INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" | 
| 557 |  |  | DESTINATION bin | 
| 558 |  |  | PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) | 
| 559 | gezelter | 1639 | endforeach(PY_FILE) | 
| 560 |  |  | ENDIF(PYTHON_EXECUTABLE) | 
| 561 |  |  |  | 
| 562 |  |  | set(PERL_FILES | 
| 563 |  |  | src/applications/utilities/solvator | 
| 564 |  |  | src/applications/utilities/waterBoxer | 
| 565 |  |  | ) | 
| 566 |  |  |  | 
| 567 |  |  | IF(PERL_FOUND) | 
| 568 |  |  | foreach(PERL_FILE ${PERL_FILES}) | 
| 569 | gezelter | 1647 | GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME) | 
| 570 |  |  | configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY) | 
| 571 |  |  | INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" | 
| 572 |  |  | DESTINATION bin | 
| 573 |  |  | PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) | 
| 574 |  |  |  | 
| 575 | gezelter | 1639 | endforeach(PERL_FILE) | 
| 576 |  |  | ENDIF(PERL_FOUND) | 
| 577 | gezelter | 1647 |  | 
| 578 |  |  | INSTALL(FILES AUTHORS LICENSE README DESTINATION . | 
| 579 |  |  | PERMISSIONS OWNER_READ GROUP_READ WORLD_READ) | 
| 580 |  |  | INSTALL(TARGETS | 
| 581 |  |  | openmd_core | 
| 582 |  |  | openmd_single | 
| 583 |  |  | openmd | 
| 584 |  |  | Dump2XYZ | 
| 585 |  |  | simpleBuilder | 
| 586 |  |  | StaticProps | 
| 587 |  |  | DynamicProps | 
| 588 |  |  | randomBuilder | 
| 589 |  |  | nanoparticleBuilder | 
| 590 |  |  | thermalizer | 
| 591 |  |  | Hydro | 
| 592 |  |  | RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE | 
| 593 |  |  | LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ | 
| 594 |  |  | ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ | 
| 595 |  |  | ) | 
| 596 |  |  |  | 
| 597 |  |  | install(DIRECTORY forceFields/ | 
| 598 |  |  | DESTINATION forceFields | 
| 599 | gezelter | 1650 | DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE | 
| 600 |  |  | PATTERN ".svn" EXCLUDE | 
| 601 | gezelter | 1647 | PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) | 
| 602 |  |  | install(DIRECTORY samples/ | 
| 603 |  |  | DESTINATION samples | 
| 604 | gezelter | 1650 | DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE | 
| 605 |  |  | PATTERN ".svn" EXCLUDE | 
| 606 | gezelter | 1647 | PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) |