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chuckv |
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# Top level cmake script for OpenMD. |
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cmake_minimum_required (VERSION 2.6) |
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project(OpenMD) |
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# OpenMD version number. |
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set (VERSION_MAJOR "2") |
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set (VERSION_MINOR "0") |
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set (VERSION_TINY "0") |
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chuckv |
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# cmake modules that are needed to build oopse |
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gezelter |
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SET(CMAKE_MODULE_PATH ${OpenMD_SOURCE_DIR}/cmake/modules) |
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gezelter |
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IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) |
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SET(CMAKE_INSTALL_PREFIX |
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"/usr/local/openmd" CACHE PATH "OpenMD install prefix" FORCE |
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) |
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ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) |
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chuckv |
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gezelter |
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# ---------- Setup output Directories ------------------------- |
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SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY |
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${PROJECT_BINARY_DIR}/lib |
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CACHE PATH |
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"Single directory for all shared libraries" |
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) |
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# --------- Setup the Executable output Directory ------------- |
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SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY |
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${PROJECT_BINARY_DIR}/bin |
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CACHE PATH |
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"Single directory for all Executables." |
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) |
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# --------- Setup the static library directory ------------- |
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SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY |
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${PROJECT_BINARY_DIR}/lib |
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CACHE PATH |
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"Single directory for all static libraries." |
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) |
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gezelter |
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enable_language(CXX C) |
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chuckv |
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gezelter |
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if ( APPLE ) |
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set(MPI_COMPILER /opt/local/lib/openmpi/bin/mpic++) |
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set(MPI_LIBRARY "MPI_LIBRARY-NOTFOUND" ) |
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endif( APPLE ) |
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FIND_PACKAGE(MPI) |
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IF ( MPI_FOUND ) |
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SET(CMAKE_REQUIRED_INCLUDES "${MPI_INCLUDE_PATH};${CMAKE_REQUIRED_INCLUDES}") |
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INCLUDE_DIRECTORIES(${MPI_INCLUDE_PATH}) |
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ENDIF() |
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FIND_PACKAGE(Subversion) |
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IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn ) |
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Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project) |
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MESSAGE("Current revision is ${Project_WC_REVISION}") |
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Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project) |
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SET(SVN_REV ${Project_WC_REVISION}) |
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ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} ) |
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gezelter |
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SET(GENERATELOGS "${PROJECT_SOURCE_DIR}/doc/svn2cl") |
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ADD_CUSTOM_TARGET(ChangeLog |
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COMMAND ${GENERATELOGS} "--group-by-day" "--include-rev" |
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"--linelen=78" "--output=${PROJECT_BINARY_DIR}/ChangeLog" "${PROJECT_SOURCE_DIR}" |
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) |
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gezelter |
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ENDIF() |
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chuckv |
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# Optional libraries: If we can find these, we will build with them |
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# Look for OpenBabel libraries |
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chuckv |
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find_package(OpenBabel2) |
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IF(OPENBABEL2_FOUND) |
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SET(USE_OPENBABEL) |
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include_directories(${OPENBABEL2_INCLUDE_DIR}) |
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message(STATUS "Openbabel libs: " ${OPENBABEL2_LIBRARIES}) |
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# TARGET_LINK_LIBRARIES(${OPENBABEL2_LIBRARIES}) |
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ENDIF(OPENBABEL2_FOUND) |
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chuckv |
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#Look for QHULL Libraries |
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find_package(QHULL) |
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IF(QHULL_FOUND) |
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SET(HAVE_QHULL 1) |
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include_directories(${QHULL_INCLUDE_DIR}) |
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LINK_LIBRARIES(${QHULL_LIBRARIES}) |
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ENDIF(QHULL_FOUND) |
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chuckv |
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chuckv |
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# zlib stuff |
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find_package(ZLIB) |
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if(ZLIB_FOUND) |
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SET(HAVE_LIBZ 1) |
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add_definitions(-DHAVE_LIBZ) |
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include_directories(${ZLIB_INCLUDE_DIR}) |
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LINK_LIBRARIES(${ZLIB_LIBRARIES}) |
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endif(ZLIB_FOUND) |
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#FFTW |
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INCLUDE(${CMAKE_MODULE_PATH}/FindFFTW.cmake) |
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IF(FFTW_FOUND) |
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SET(HAVE_LIBFFTW 1) |
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SET(HAVE_FFTW3_H) |
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INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR}) |
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LINK_LIBRARIES(${FFTW_LIBRARIES}) |
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ENDIF(FFTW_FOUND) |
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gezelter |
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# add a target to generate API documentation with Doxygen |
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find_package(Doxygen) |
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if(DOXYGEN_FOUND) |
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configure_file("${CMAKE_CURRENT_SOURCE_DIR}/doc/Doxyfile.in" "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile" @ONLY) |
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add_custom_target(doc |
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${DOXYGEN_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile" |
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WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/doc" |
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COMMENT "Generating API documentation with Doxygen" VERBATIM |
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) |
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endif(DOXYGEN_FOUND) |
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chuckv |
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#include checks |
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include(CheckIncludeFile) |
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CHECK_INCLUDE_FILE(fftw3.h HAVE_FFTW3_H) |
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CHECK_INCLUDE_FILE(fftw.h HAVE_FFWT_H) |
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CHECK_INCLUDE_FILE(dfftw.h HAVE_DFFTW_H) |
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CHECK_INCLUDE_FILE(cmath.h HAVE_CMATH_H) |
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gezelter |
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check_include_file(limits.h HAVE_LIMITS_H) |
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check_include_file(stdlib.h HAVE_STDLIB_H) |
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check_include_file(string.h HAVE_STRING_H) |
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check_include_file("sys/ioctl.h" HAVE_SYS_IOCTL_H) |
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check_include_file(unistd.h HAVE_UNISTD_H) |
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chuckv |
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#symbol checks |
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include(CheckSymbolExists) |
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#function checks |
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include(CheckFunctionExists) |
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gezelter |
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check_function_exists(atexit HAVE_ATEXIT) |
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chuckv |
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check_function_exists(floor HAVE_FLOOR) |
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gezelter |
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check_function_exists(pow HAVE_POW) |
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check_function_exists(select HAVE_SELECT) |
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check_function_exists(sqrt HAVE_SQRT) |
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check_function_exists(strcasecmp HAVE_STRCASECMP) |
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check_function_exists(strchr HAVE_STRCHR) |
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check_function_exists(strdup HAVE_STRDUP) |
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check_function_exists(strncasecmp HAVE_STRNCASECMP) |
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check_function_exists(strstr HAVE_STRSTR) |
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check_function_exists(strtol HAVE_STRTOL) |
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check_function_exists(strtoull HAVE_STRTOULL) |
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check_function_exists(sysmp HAVE_SYSMP) |
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check_function_exists(table HAVE_TABLE) |
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chuckv |
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gezelter |
1639 |
FIND_PACKAGE(Perl) |
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IF(PERL_FOUND) |
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SET(PERL ${PERL_EXECUTABLE}) |
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ELSE(PERL_FOUND) |
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MESSAGE(STATUS "Failed to find perl") |
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ENDIF(PERL_FOUND) |
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FIND_PACKAGE(PythonInterp) |
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IF(PYTHON_EXECUTABLE) |
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SET(PYTHON ${PYTHON_EXECUTABLE}) |
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ELSE(PYTHON_EXECUTABLE) |
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MESSAGE(STATUS "Failed to find python") |
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ENDIF(PYTHON_EXECUTABLE) |
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SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations") |
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chuckv |
1496 |
configure_file ( |
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"${PROJECT_SOURCE_DIR}/src/config.h.cmake" |
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"${PROJECT_SOURCE_DIR}/src/config.h" |
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) |
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include_directories (${PROJECT_SOURCE_DIR}/src) |
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#CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/config.h.in ${CMAKE_CURRENT_BINARY_DIR}/config.h) |
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chuckv |
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#Add executables for build |
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gezelter |
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set (PROGRAMS |
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openmd |
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openmd_MPI |
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Dump2XYZ |
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simpleBuilder |
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StaticProps |
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DynamicProps |
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randomBuilder |
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nanoparticleBuilder |
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thermalizer |
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atom2md |
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Hydro) |
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chuckv |
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|
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gezelter |
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set(SOURCE |
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src/antlr/ANTLRUtil.cpp |
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src/antlr/ASTFactory.cpp |
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src/antlr/ASTNULLType.cpp |
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src/antlr/ASTRefCount.cpp |
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src/antlr/BaseAST.cpp |
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src/antlr/BitSet.cpp |
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src/antlr/CharBuffer.cpp |
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src/antlr/CharScanner.cpp |
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src/antlr/CommonAST.cpp |
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src/antlr/CommonASTWithHiddenTokens.cpp |
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src/antlr/CommonHiddenStreamToken.cpp |
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src/antlr/CommonToken.cpp |
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src/antlr/InputBuffer.cpp |
| 199 |
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src/antlr/LLkParser.cpp |
| 200 |
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src/antlr/MismatchedCharException.cpp |
| 201 |
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src/antlr/MismatchedTokenException.cpp |
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src/antlr/NoViableAltException.cpp |
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src/antlr/NoViableAltForCharException.cpp |
| 204 |
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src/antlr/Parser.cpp |
| 205 |
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src/antlr/RecognitionException.cpp |
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src/antlr/String.cpp |
| 207 |
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src/antlr/Token.cpp |
| 208 |
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src/antlr/TokenBuffer.cpp |
| 209 |
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src/antlr/TokenRefCount.cpp |
| 210 |
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src/antlr/TokenStreamBasicFilter.cpp |
| 211 |
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src/antlr/TokenStreamHiddenTokenFilter.cpp |
| 212 |
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src/antlr/TokenStreamRewriteEngine.cpp |
| 213 |
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src/antlr/TokenStreamSelector.cpp |
| 214 |
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src/antlr/TreeParser.cpp |
| 215 |
|
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src/brains/BlockSnapshotManager.cpp |
| 216 |
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src/brains/DataStorage.cpp |
| 217 |
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src/brains/MoleculeCreator.cpp |
| 218 |
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src/brains/PairList.cpp |
| 219 |
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src/brains/Register.cpp |
| 220 |
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src/brains/SimSnapshotManager.cpp |
| 221 |
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src/brains/Snapshot.cpp |
| 222 |
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src/brains/Stats.cpp |
| 223 |
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src/constraints/Rattle.cpp |
| 224 |
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src/hydrodynamics/Ellipsoid.cpp |
| 225 |
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src/hydrodynamics/HydroProp.cpp |
| 226 |
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src/hydrodynamics/Sphere.cpp |
| 227 |
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src/integrators/DLM.cpp |
| 228 |
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src/integrators/Integrator.cpp |
| 229 |
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src/integrators/IntegratorFactory.cpp |
| 230 |
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src/integrators/LangevinDynamics.cpp |
| 231 |
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src/integrators/LDForceManager.cpp |
| 232 |
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src/integrators/NgammaT.cpp |
| 233 |
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src/integrators/NPAT.cpp |
| 234 |
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src/integrators/NPrT.cpp |
| 235 |
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src/integrators/NPT.cpp |
| 236 |
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src/integrators/NPTf.cpp |
| 237 |
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src/integrators/NPTi.cpp |
| 238 |
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src/integrators/NPTsz.cpp |
| 239 |
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src/integrators/NPTxyz.cpp |
| 240 |
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src/integrators/NVE.cpp |
| 241 |
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src/integrators/NVT.cpp |
| 242 |
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src/integrators/VelocityVerletIntegrator.cpp |
| 243 |
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src/io/AtomTypesSectionParser.cpp |
| 244 |
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src/io/BaseAtomTypesSectionParser.cpp |
| 245 |
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src/io/BendTypesSectionParser.cpp |
| 246 |
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src/io/BondTypesSectionParser.cpp |
| 247 |
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src/io/ChargeAtomTypesSectionParser.cpp |
| 248 |
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src/io/DirectionalAtomTypesSectionParser.cpp |
| 249 |
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src/io/EAMAtomTypesSectionParser.cpp |
| 250 |
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src/io/ForceFieldOptions.cpp |
| 251 |
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src/io/GayBerneAtomTypesSectionParser.cpp |
| 252 |
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src/io/Globals.cpp |
| 253 |
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src/io/gzstream.cpp |
| 254 |
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src/io/InversionTypesSectionParser.cpp |
| 255 |
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src/io/LennardJonesAtomTypesSectionParser.cpp |
| 256 |
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src/io/MultipoleAtomTypesSectionParser.cpp |
| 257 |
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src/io/NonBondedInteractionsSectionParser.cpp |
| 258 |
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src/io/OptionSectionParser.cpp |
| 259 |
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src/io/ParamConstraint.cpp |
| 260 |
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src/io/SCAtomTypesSectionParser.cpp |
| 261 |
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src/io/SectionParser.cpp |
| 262 |
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src/io/SectionParserManager.cpp |
| 263 |
|
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src/io/ShapeAtomTypesSectionParser.cpp |
| 264 |
|
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src/io/StickyAtomTypesSectionParser.cpp |
| 265 |
|
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src/io/StickyPowerAtomTypesSectionParser.cpp |
| 266 |
|
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src/io/TorsionTypesSectionParser.cpp |
| 267 |
|
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src/io/ZConsReader.cpp |
| 268 |
|
|
src/lattice/CubicLattice.cpp |
| 269 |
|
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src/lattice/FCCLattice.cpp |
| 270 |
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src/lattice/Lattice.cpp |
| 271 |
|
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src/lattice/LatticeFactory.cpp |
| 272 |
|
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src/lattice/shapedLattice.cpp |
| 273 |
|
|
src/math/ChebyshevT.cpp |
| 274 |
|
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src/math/ChebyshevU.cpp |
| 275 |
|
|
src/math/CubicSpline.cpp |
| 276 |
|
|
src/math/LegendrePolynomial.cpp |
| 277 |
|
|
src/math/RealSphericalHarmonic.cpp |
| 278 |
|
|
src/math/RMSD.cpp |
| 279 |
|
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src/math/SeqRandNumGen.cpp |
| 280 |
|
|
src/math/SphericalHarmonic.cpp |
| 281 |
|
|
src/math/Wigner3jm.cpp |
| 282 |
|
|
src/mdParser/FilenameObserver.cpp |
| 283 |
|
|
src/mdParser/MDLexer.cpp |
| 284 |
|
|
src/mdParser/MDParser.cpp |
| 285 |
|
|
src/mdParser/MDTreeParser.cpp |
| 286 |
|
|
src/minimizers/MinimizerFactory.cpp |
| 287 |
|
|
src/minimizers/MinimizerParameterSet.cpp |
| 288 |
|
|
src/nonbonded/EAM.cpp |
| 289 |
|
|
src/nonbonded/Electrostatic.cpp |
| 290 |
|
|
src/nonbonded/GB.cpp |
| 291 |
|
|
src/nonbonded/InteractionManager.cpp |
| 292 |
|
|
src/nonbonded/LJ.cpp |
| 293 |
|
|
src/nonbonded/MAW.cpp |
| 294 |
|
|
src/nonbonded/Morse.cpp |
| 295 |
|
|
src/nonbonded/RepulsivePower.cpp |
| 296 |
|
|
src/nonbonded/SC.cpp |
| 297 |
|
|
src/nonbonded/Sticky.cpp |
| 298 |
|
|
src/nonbonded/SwitchingFunction.cpp |
| 299 |
|
|
src/primitives/Atom.cpp |
| 300 |
|
|
src/primitives/Bend.cpp |
| 301 |
|
|
src/primitives/DirectionalAtom.cpp |
| 302 |
|
|
src/primitives/GhostBend.cpp |
| 303 |
|
|
src/primitives/GhostTorsion.cpp |
| 304 |
|
|
src/primitives/Inversion.cpp |
| 305 |
|
|
src/primitives/Molecule.cpp |
| 306 |
|
|
src/primitives/RigidBody.cpp |
| 307 |
|
|
src/primitives/StuntDouble.cpp |
| 308 |
|
|
src/primitives/Torsion.cpp |
| 309 |
|
|
src/primitives/UreyBradleyBend.cpp |
| 310 |
|
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src/restraints/MolecularRestraint.cpp |
| 311 |
|
|
src/restraints/ObjectRestraint.cpp |
| 312 |
|
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src/selection/DistanceFinder.cpp |
| 313 |
|
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src/selection/HullFinder.cpp |
| 314 |
|
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src/selection/IndexFinder.cpp |
| 315 |
|
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src/selection/NameFinder.cpp |
| 316 |
|
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src/selection/SelectionCompiler.cpp |
| 317 |
|
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src/selection/SelectionEvaluator.cpp |
| 318 |
|
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src/selection/SelectionManager.cpp |
| 319 |
|
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src/selection/SelectionToken.cpp |
| 320 |
|
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src/selection/TokenMap.cpp |
| 321 |
|
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src/types/AtomStamp.cpp |
| 322 |
|
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src/types/AtomType.cpp |
| 323 |
|
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src/types/BendStamp.cpp |
| 324 |
|
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src/types/BondStamp.cpp |
| 325 |
|
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src/types/CharmmTorsionType.cpp |
| 326 |
|
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src/types/Component.cpp |
| 327 |
|
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src/types/CutoffGroupStamp.cpp |
| 328 |
|
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src/types/DirectionalAtomType.cpp |
| 329 |
|
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src/types/FragmentStamp.cpp |
| 330 |
|
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src/types/ImproperCosineInversionType.cpp |
| 331 |
|
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src/types/InversionStamp.cpp |
| 332 |
|
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src/types/MoleculeStamp.cpp |
| 333 |
|
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src/types/NonBondedInteractionType.cpp |
| 334 |
|
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src/types/RestraintStamp.cpp |
| 335 |
|
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src/types/RigidBodyStamp.cpp |
| 336 |
|
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src/types/ShapeAtomType.cpp |
| 337 |
|
|
src/types/TorsionStamp.cpp |
| 338 |
|
|
src/types/ZconsStamp.cpp |
| 339 |
|
|
src/UseTheForce/Amber_FF.cpp |
| 340 |
|
|
src/UseTheForce/CLAYFF.cpp |
| 341 |
|
|
src/UseTheForce/DUFF.cpp |
| 342 |
|
|
src/UseTheForce/EADM_FF.cpp |
| 343 |
|
|
src/UseTheForce/EAM_FF.cpp |
| 344 |
|
|
src/UseTheForce/ForceField.cpp |
| 345 |
|
|
src/UseTheForce/ForceFieldFactory.cpp |
| 346 |
|
|
src/UseTheForce/MnM_FF.cpp |
| 347 |
|
|
src/UseTheForce/SC_FF.cpp |
| 348 |
|
|
src/UseTheForce/SHAPES_FF.cpp |
| 349 |
|
|
src/utils/ElementsTable.cpp |
| 350 |
|
|
src/utils/MoLocator.cpp |
| 351 |
|
|
src/utils/OpenMDBitSet.cpp |
| 352 |
|
|
src/utils/PropertyMap.cpp |
| 353 |
|
|
src/utils/StringTokenizer.cpp |
| 354 |
|
|
src/utils/StringUtils.cpp |
| 355 |
|
|
src/utils/Trim.cpp |
| 356 |
|
|
src/utils/Utility.cpp |
| 357 |
|
|
src/utils/wildcards.cpp |
| 358 |
|
|
src/visitors/AtomNameVisitor.cpp |
| 359 |
|
|
src/visitors/AtomVisitor.cpp |
| 360 |
|
|
src/visitors/CompositeVisitor.cpp |
| 361 |
|
|
src/visitors/LipidTransVisitor.cpp |
| 362 |
|
|
src/visitors/OtherVisitor.cpp |
| 363 |
|
|
src/visitors/ReplacementVisitor.cpp |
| 364 |
|
|
src/visitors/RigidBodyVisitor.cpp |
| 365 |
|
|
src/visitors/ZconsVisitor.cpp |
| 366 |
|
|
) |
| 367 |
chuckv |
1466 |
|
| 368 |
gezelter |
1639 |
set( PARALLEL_SOURCE |
| 369 |
|
|
src/brains/ForceManager.cpp |
| 370 |
|
|
src/brains/SimCreator.cpp |
| 371 |
|
|
src/brains/SimInfo.cpp |
| 372 |
|
|
src/brains/Thermo.cpp |
| 373 |
|
|
src/constraints/ZconstraintForceManager.cpp |
| 374 |
|
|
src/integrators/RNEMD.cpp |
| 375 |
|
|
src/integrators/Velocitizer.cpp |
| 376 |
|
|
src/io/DumpReader.cpp |
| 377 |
|
|
src/io/DumpWriter.cpp |
| 378 |
|
|
src/io/RestReader.cpp |
| 379 |
|
|
src/io/RestWriter.cpp |
| 380 |
|
|
src/io/StatWriter.cpp |
| 381 |
|
|
src/io/ZConsWriter.cpp |
| 382 |
|
|
src/io/ifstrstream.cpp |
| 383 |
|
|
src/math/ParallelRandNumGen.cpp |
| 384 |
|
|
src/minimizers/CGFamilyMinimizer.cpp |
| 385 |
|
|
src/minimizers/Minimizer.cpp |
| 386 |
|
|
src/minimizers/PRCG.cpp |
| 387 |
|
|
src/minimizers/SDMinimizer.cpp |
| 388 |
|
|
src/parallel/ForceDecomposition.cpp |
| 389 |
|
|
src/parallel/ForceMatrixDecomposition.cpp |
| 390 |
|
|
src/restraints/RestraintForceManager.cpp |
| 391 |
|
|
src/restraints/ThermoIntegrationForceManager.cpp |
| 392 |
|
|
src/utils/ProgressBar.cpp |
| 393 |
|
|
src/utils/simError.c |
| 394 |
|
|
) |
| 395 |
|
|
|
| 396 |
|
|
IF(QHULL_FOUND) |
| 397 |
|
|
set(QHULL_SOURCE |
| 398 |
|
|
src/integrators/LangevinHullDynamics.cpp |
| 399 |
|
|
src/math/Triangle.cpp |
| 400 |
|
|
) |
| 401 |
|
|
set(QHULL_PARALLEL_SOURCE |
| 402 |
|
|
src/integrators/LangevinHullForceManager.cpp |
| 403 |
|
|
src/math/ConvexHull.cpp |
| 404 |
|
|
src/math/AlphaHull.cpp |
| 405 |
|
|
) |
| 406 |
|
|
ENDIF(QHULL_FOUND) |
| 407 |
|
|
|
| 408 |
|
|
add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ) |
| 409 |
|
|
add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} ) |
| 410 |
|
|
|
| 411 |
|
|
IF(MPI_FOUND) |
| 412 |
|
|
add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} ) |
| 413 |
|
|
set_target_properties(openmd_parallel PROPERTIES |
| 414 |
|
|
COMPILE_DEFINITIONS IS_MPI |
| 415 |
|
|
) |
| 416 |
|
|
ENDIF(MPI_FOUND) |
| 417 |
|
|
|
| 418 |
|
|
add_executable(openmd src/applications/openmd/openmd.cpp) |
| 419 |
|
|
target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core) |
| 420 |
|
|
|
| 421 |
|
|
if (MPI_FOUND) |
| 422 |
|
|
add_executable(openmd_MPI src/applications/openmd/openmd.cpp) |
| 423 |
|
|
set_target_properties(openmd_MPI PROPERTIES |
| 424 |
|
|
COMPILE_DEFINITIONS IS_MPI |
| 425 |
|
|
) |
| 426 |
|
|
target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core) |
| 427 |
gezelter |
1647 |
INSTALL(TARGETS |
| 428 |
|
|
openmd_parallel openmd_MPI |
| 429 |
|
|
RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
| 430 |
|
|
LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
| 431 |
|
|
ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
| 432 |
|
|
) |
| 433 |
gezelter |
1639 |
ENDIF (MPI_FOUND) |
| 434 |
|
|
|
| 435 |
|
|
set (DUMP2XYZSOURCE |
| 436 |
|
|
src/applications/dump2Xyz/Dump2XYZ.cpp |
| 437 |
|
|
src/applications/dump2Xyz/Dump2XYZCmd.c |
| 438 |
|
|
) |
| 439 |
|
|
|
| 440 |
|
|
set (DYNAMICPROPSSOURCE |
| 441 |
|
|
src/applications/dynamicProps/ActionCorrFunc.cpp |
| 442 |
|
|
src/applications/dynamicProps/CrossTimeCorrFunc.cpp |
| 443 |
|
|
src/applications/dynamicProps/DipoleCorrFunc.cpp |
| 444 |
|
|
src/applications/dynamicProps/DirectionalRCorrFunc.cpp |
| 445 |
|
|
src/applications/dynamicProps/DynamicProps.cpp |
| 446 |
|
|
src/applications/dynamicProps/EnergyCorrFunc.cpp |
| 447 |
|
|
src/applications/dynamicProps/FrameTimeCorrFunc.cpp |
| 448 |
|
|
src/applications/dynamicProps/LegendreCorrFunc.cpp |
| 449 |
|
|
src/applications/dynamicProps/MomentumCorrFunc.cpp |
| 450 |
|
|
src/applications/dynamicProps/ParticleTimeCorrFunc.cpp |
| 451 |
|
|
src/applications/dynamicProps/RadialRCorrFunc.cpp |
| 452 |
|
|
src/applications/dynamicProps/RCorrFunc.cpp |
| 453 |
|
|
src/applications/dynamicProps/StressCorrFunc.cpp |
| 454 |
|
|
src/applications/dynamicProps/SystemDipoleCorrFunc.cpp |
| 455 |
|
|
src/applications/dynamicProps/ThetaCorrFunc.cpp |
| 456 |
|
|
src/applications/dynamicProps/TimeCorrFunc.cpp |
| 457 |
|
|
src/applications/dynamicProps/VCorrFunc.cpp |
| 458 |
|
|
src/applications/dynamicProps/DynamicPropsCmd.c |
| 459 |
|
|
) |
| 460 |
|
|
|
| 461 |
|
|
set (HYDROSOURCE |
| 462 |
|
|
src/applications/hydrodynamics/AnalyticalModel.cpp |
| 463 |
|
|
src/applications/hydrodynamics/ApproximationModel.cpp |
| 464 |
|
|
src/applications/hydrodynamics/BeadModel.cpp |
| 465 |
|
|
src/applications/hydrodynamics/CompositeShape.cpp |
| 466 |
|
|
src/applications/hydrodynamics/Hydro.cpp |
| 467 |
|
|
src/applications/hydrodynamics/HydrodynamicsModel.cpp |
| 468 |
|
|
src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp |
| 469 |
|
|
src/applications/hydrodynamics/RoughShell.cpp |
| 470 |
|
|
src/applications/hydrodynamics/ShapeBuilder.cpp |
| 471 |
|
|
src/applications/hydrodynamics/HydroCmd.c |
| 472 |
|
|
) |
| 473 |
|
|
|
| 474 |
|
|
set (STATICPROPSSOURCE |
| 475 |
|
|
src/applications/staticProps/AngleR.cpp |
| 476 |
|
|
src/applications/staticProps/BondAngleDistribution.cpp |
| 477 |
|
|
src/applications/staticProps/BondOrderParameter.cpp |
| 478 |
|
|
src/applications/staticProps/BOPofR.cpp |
| 479 |
|
|
src/applications/staticProps/DensityPlot.cpp |
| 480 |
|
|
src/applications/staticProps/GofAngle2.cpp |
| 481 |
|
|
src/applications/staticProps/GofR.cpp |
| 482 |
|
|
src/applications/staticProps/GofRAngle.cpp |
| 483 |
|
|
src/applications/staticProps/GofRZ.cpp |
| 484 |
|
|
src/applications/staticProps/GofXyz.cpp |
| 485 |
|
|
src/applications/staticProps/GofZ.cpp |
| 486 |
|
|
src/applications/staticProps/Hxy.cpp |
| 487 |
|
|
src/applications/staticProps/NanoLength.cpp |
| 488 |
|
|
src/applications/staticProps/NanoVolume.cpp |
| 489 |
|
|
src/applications/staticProps/ObjectCount.cpp |
| 490 |
|
|
src/applications/staticProps/P2OrderParameter.cpp |
| 491 |
|
|
src/applications/staticProps/pAngle.cpp |
| 492 |
|
|
src/applications/staticProps/RadialDistrFunc.cpp |
| 493 |
|
|
src/applications/staticProps/RhoR.cpp |
| 494 |
|
|
src/applications/staticProps/RhoZ.cpp |
| 495 |
|
|
src/applications/staticProps/RippleOP.cpp |
| 496 |
|
|
src/applications/staticProps/SCDOrderParameter.cpp |
| 497 |
|
|
src/applications/staticProps/StaticProps.cpp |
| 498 |
|
|
src/applications/staticProps/TetrahedralityParam.cpp |
| 499 |
|
|
src/applications/staticProps/TwoDGofR.cpp |
| 500 |
|
|
src/applications/staticProps/StaticPropsCmd.c |
| 501 |
|
|
) |
| 502 |
|
|
|
| 503 |
|
|
set (NANOPARTICLEBUILDERSOURCE |
| 504 |
|
|
src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp |
| 505 |
|
|
src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp |
| 506 |
|
|
src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.c |
| 507 |
|
|
) |
| 508 |
|
|
|
| 509 |
|
|
set (RANDOMBUILDERSOURCE |
| 510 |
|
|
src/applications/randomBuilder/randomBuilder.cpp |
| 511 |
|
|
src/applications/randomBuilder/randomBuilderCmd.c |
| 512 |
|
|
) |
| 513 |
|
|
|
| 514 |
|
|
set(SIMPLEBUILDERSOURCE |
| 515 |
|
|
src/applications/simpleBuilder/simpleBuilder.cpp |
| 516 |
|
|
src/applications/simpleBuilder/simpleBuilderCmd.c |
| 517 |
|
|
) |
| 518 |
|
|
|
| 519 |
|
|
set(THERMALIZERSOURCE |
| 520 |
|
|
src/applications/thermalizer/thermalizer.cpp |
| 521 |
|
|
src/applications/thermalizer/thermalizerCmd.c |
| 522 |
|
|
) |
| 523 |
|
|
|
| 524 |
|
|
add_executable(Dump2XYZ ${DUMP2XYZSOURCE}) |
| 525 |
|
|
target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core) |
| 526 |
|
|
add_executable(DynamicProps ${DYNAMICPROPSSOURCE}) |
| 527 |
|
|
target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core) |
| 528 |
|
|
add_executable(Hydro ${HYDROSOURCE}) |
| 529 |
|
|
target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core) |
| 530 |
|
|
add_executable(StaticProps ${STATICPROPSSOURCE}) |
| 531 |
|
|
target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core) |
| 532 |
|
|
add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE}) |
| 533 |
|
|
target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core) |
| 534 |
|
|
add_executable(randomBuilder ${RANDOMBUILDERSOURCE}) |
| 535 |
|
|
target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core) |
| 536 |
|
|
add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE}) |
| 537 |
|
|
target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core) |
| 538 |
|
|
add_executable(thermalizer ${THERMALIZERSOURCE}) |
| 539 |
|
|
target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core) |
| 540 |
|
|
|
| 541 |
|
|
if (OPENBABEL2_FOUND) |
| 542 |
|
|
set (ATOM2MDSOURCE |
| 543 |
|
|
src/applications/atom2md/atom2md.cpp |
| 544 |
|
|
src/applications/atom2md/openmdformat.cpp |
| 545 |
|
|
) |
| 546 |
|
|
add_executable(atom2md ${ATOM2MDSOURCE}) |
| 547 |
|
|
target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES}) |
| 548 |
gezelter |
1647 |
INSTALL(TARGETS atom2md RUNTIME DESTINATION bin |
| 549 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
| 550 |
gezelter |
1639 |
ENDIF (OPENBABEL2_FOUND) |
| 551 |
|
|
|
| 552 |
|
|
|
| 553 |
|
|
set(PY_FILES |
| 554 |
|
|
src/applications/hydrodynamics/diffExplainer |
| 555 |
|
|
src/applications/utilities/affineScale |
| 556 |
|
|
src/applications/utilities/dumpConverter |
| 557 |
|
|
src/applications/utilities/md-solvator |
| 558 |
|
|
src/applications/utilities/md2md |
| 559 |
|
|
src/applications/utilities/mdSplit |
| 560 |
|
|
src/applications/utilities/principalAxisCalculator |
| 561 |
|
|
src/applications/utilities/stat2visco |
| 562 |
|
|
src/applications/utilities/waterRotator |
| 563 |
|
|
) |
| 564 |
|
|
|
| 565 |
|
|
IF(PYTHON_EXECUTABLE) |
| 566 |
|
|
foreach(PY_FILE ${PY_FILES}) |
| 567 |
gezelter |
1647 |
GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME) |
| 568 |
|
|
CONFIGURE_FILE(${PY_FILE} |
| 569 |
|
|
"${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY) |
| 570 |
|
|
INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" |
| 571 |
|
|
DESTINATION bin |
| 572 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
| 573 |
gezelter |
1639 |
endforeach(PY_FILE) |
| 574 |
|
|
ENDIF(PYTHON_EXECUTABLE) |
| 575 |
|
|
|
| 576 |
|
|
set(PERL_FILES |
| 577 |
|
|
src/applications/utilities/solvator |
| 578 |
|
|
src/applications/utilities/waterBoxer |
| 579 |
|
|
) |
| 580 |
|
|
|
| 581 |
|
|
IF(PERL_FOUND) |
| 582 |
|
|
foreach(PERL_FILE ${PERL_FILES}) |
| 583 |
gezelter |
1647 |
GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME) |
| 584 |
|
|
configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY) |
| 585 |
|
|
INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" |
| 586 |
|
|
DESTINATION bin |
| 587 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
| 588 |
|
|
|
| 589 |
gezelter |
1639 |
endforeach(PERL_FILE) |
| 590 |
|
|
ENDIF(PERL_FOUND) |
| 591 |
gezelter |
1647 |
|
| 592 |
gezelter |
1652 |
INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION . |
| 593 |
gezelter |
1647 |
PERMISSIONS OWNER_READ GROUP_READ WORLD_READ) |
| 594 |
|
|
INSTALL(TARGETS |
| 595 |
|
|
openmd_core |
| 596 |
|
|
openmd_single |
| 597 |
|
|
openmd |
| 598 |
|
|
Dump2XYZ |
| 599 |
|
|
simpleBuilder |
| 600 |
|
|
StaticProps |
| 601 |
|
|
DynamicProps |
| 602 |
|
|
randomBuilder |
| 603 |
|
|
nanoparticleBuilder |
| 604 |
|
|
thermalizer |
| 605 |
|
|
Hydro |
| 606 |
|
|
RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
| 607 |
|
|
LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
| 608 |
|
|
ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
| 609 |
|
|
) |
| 610 |
|
|
|
| 611 |
|
|
install(DIRECTORY forceFields/ |
| 612 |
|
|
DESTINATION forceFields |
| 613 |
gezelter |
1650 |
DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
| 614 |
|
|
PATTERN ".svn" EXCLUDE |
| 615 |
gezelter |
1647 |
PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) |
| 616 |
|
|
install(DIRECTORY samples/ |
| 617 |
|
|
DESTINATION samples |
| 618 |
gezelter |
1650 |
DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
| 619 |
|
|
PATTERN ".svn" EXCLUDE |
| 620 |
gezelter |
1651 |
PATTERN "*.dump" EXCLUDE |
| 621 |
|
|
PATTERN "*.stat" EXCLUDE |
| 622 |
gezelter |
1647 |
PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) |
| 623 |
gezelter |
1651 |
INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf" |
| 624 |
|
|
DESTINATION doc |
| 625 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) |