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root/OpenMD/branches/development/CMakeLists.txt
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Comparing branches/development/CMakeLists.txt (file contents):
Revision 1639 by gezelter, Sat Sep 24 20:18:07 2011 UTC vs.
Revision 1694 by gezelter, Thu Mar 15 23:51:48 2012 UTC

# Line 1 | Line 1
1   # Top level cmake script for OpenMD.
2 + project(OpenMD CXX)
3 + cmake_minimum_required(VERSION 2.8.5)
4  
5 < cmake_minimum_required (VERSION 2.6)
4 < project(OpenMD)
5 > SET(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/modules")
6  
7 + if (NOT CMAKE_BUILD_TYPE)
8 +  set(CMAKE_BUILD_TYPE "Release")
9 + endif()
10  
11 + find_package(MPI)
12 + if (NOT MPI_CXX_FOUND)
13 + message(STATUS "========== OpenMD Parallel Information ==========")
14 + message(STATUS )
15 + message(STATUS "No MPI compiler found. Perhaps you want to set one explicitly?")
16 + message(STATUS "To override the default compiler, set the environment variable")
17 + message(STATUS "     export CXX=/full/path/to/mpic++")
18 + message(STATUS "in bash or ksh or sh.  In csh or tcsh, use:")
19 + message(STATUS "     setenv CXX /full/path/to/mpic++")
20 + message(STATUS "before running the cmake command.")
21 + message(STATUS )
22 + message(STATUS "=================================================")
23 + endif()
24 + IF ( MPI_CXX_FOUND )
25 +  INCLUDE_DIRECTORIES(${MPI_CXX_INCLUDE_PATH})
26 + ENDIF()
27 +
28 + include(CheckCXXCompilerFlag)
29 + include(CheckIncludeFileCXX)
30 + include(CheckCXXSymbolExists)
31 +
32   # OpenMD version number.
33   set (VERSION_MAJOR "2")
34   set (VERSION_MINOR "0")
35   set (VERSION_TINY "0")  
36 + option(SINGLE_PRECISION "Build Single precision (float) version" OFF)
37  
38 < # cmake modules that are needed to build oopse
39 < SET(CMAKE_MODULE_PATH ${OpenMD_SOURCE_DIR}/cmake/modules)
40 < SET(EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}/bin)
41 < SET(LIBRARY_OUTPUT_PATH ${PROJECT_BINARY_DIR}/lib)
38 > IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
39 >  SET(CMAKE_INSTALL_PREFIX
40 >    "/usr/local/openmd" CACHE PATH "OpenMD install prefix" FORCE
41 >    )
42 > ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
43  
44 < enable_language(CXX  C)
44 > # ---------- Setup output Directories -------------------------
45 > SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY
46 >  ${PROJECT_BINARY_DIR}/lib
47 >  CACHE PATH
48 >  "Single directory for all shared libraries"
49 >  )
50 > # --------- Setup the Executable output Directory -------------
51 > SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY
52 >  ${PROJECT_BINARY_DIR}/bin
53 >  CACHE PATH
54 >  "Single directory for all Executables."
55 >  )
56 > # --------- Setup the static library directory -------------
57 > SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY
58 >  ${PROJECT_BINARY_DIR}/lib
59 >  CACHE PATH
60 >  "Single directory for all static libraries."
61 >  )
62  
19 – if ( APPLE )
20 – set(MPI_COMPILER /opt/local/lib/openmpi/bin/mpic++)
21 – set(MPI_LIBRARY "MPI_LIBRARY-NOTFOUND" )
22 – endif( APPLE )
23 – FIND_PACKAGE(MPI)
24 – IF ( MPI_FOUND )
25 –  SET(CMAKE_REQUIRED_INCLUDES "${MPI_INCLUDE_PATH};${CMAKE_REQUIRED_INCLUDES}")
26 –  INCLUDE_DIRECTORIES(${MPI_INCLUDE_PATH})
27 – ENDIF()
28 –
63   FIND_PACKAGE(Subversion)
64   IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn )
65    Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project)
66 <  MESSAGE("Current revision is ${Project_WC_REVISION}")
66 >  MESSAGE(STATUS "Current revision is ${Project_WC_REVISION}")
67    Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project)
68    SET(SVN_REV ${Project_WC_REVISION})
69    ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} )
70 +  SET(GENERATELOGS "${PROJECT_SOURCE_DIR}/doc/svn2cl")
71 +  ADD_CUSTOM_TARGET(ChangeLog
72 +     COMMAND ${GENERATELOGS} "--group-by-day" "--include-rev"
73 +     "--linelen=78" "--output=${PROJECT_BINARY_DIR}/ChangeLog" "${PROJECT_SOURCE_DIR}"
74 +  )
75   ENDIF()
76  
77 + check_include_file_cxx(conio.h      HAVE_CONIO_H)
78 + check_cxx_symbol_exists(strncasecmp   "string.h"   HAVE_STRNCASECMP)
79 +
80   # Optional libraries: If we can find these, we will build with them
81   # Look for OpenBabel libraries
82   find_package(OpenBabel2)
83   IF(OPENBABEL2_FOUND)
84    SET(USE_OPENBABEL)
85    include_directories(${OPENBABEL2_INCLUDE_DIR})
86 <  message(STATUS "Openbabel libs: " ${OPENBABEL2_LIBRARIES})
45 < #  TARGET_LINK_LIBRARIES(${OPENBABEL2_LIBRARIES})
86 >  # link libraries are added only for targets that need them.
87   ENDIF(OPENBABEL2_FOUND)
88  
89   #Look for QHULL Libraries
90 < find_package(QHULL)
90 > find_package(Qhull)
91   IF(QHULL_FOUND)
92    SET(HAVE_QHULL 1)
93    include_directories(${QHULL_INCLUDE_DIR})
94    LINK_LIBRARIES(${QHULL_LIBRARIES})
95   ENDIF(QHULL_FOUND)
96  
56 –
97   # zlib stuff
98   find_package(ZLIB)
99   if(ZLIB_FOUND)
# Line 64 | Line 104 | endif(ZLIB_FOUND)
104   endif(ZLIB_FOUND)
105  
106   #FFTW
107 < INCLUDE(${CMAKE_MODULE_PATH}/FindFFTW.cmake)
108 < IF(FFTW_FOUND)
107 > IF(SINGLE_PRECISION)
108 >  find_package(FFTW3 COMPONENTS single)
109 > else()
110 >  find_package(FFTW3 COMPONENTS double)
111 > endif(SINGLE_PRECISION)
112 > if (FFTW3_FOUND)
113 >  include_directories (${CMAKE_SOURCE_DIR} ${CMAKE_BINARY_DIR} ${FFTW3_INCLUDE_DIR})
114    SET(HAVE_LIBFFTW 1)
115 <  SET(HAVE_FFTW3_H)
116 <  INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR})
117 <  LINK_LIBRARIES(${FFTW_LIBRARIES})
118 < ENDIF(FFTW_FOUND)
115 >  SET(HAVE_FFTW3_H 1)
116 >  INCLUDE_DIRECTORIES(${FFTW3_INCLUDE_DIR})
117 >  LINK_LIBRARIES(${FFTW3_LIBRARIES})
118 > endif (FFTW3_FOUND)
119  
120  
121 < #include checks
122 < include(CheckIncludeFile)
123 < CHECK_INCLUDE_FILE(fftw3.h HAVE_FFTW3_H)
124 < CHECK_INCLUDE_FILE(fftw.h HAVE_FFWT_H)
125 < CHECK_INCLUDE_FILE(dfftw.h HAVE_DFFTW_H)
126 < CHECK_INCLUDE_FILE(cmath.h HAVE_CMATH_H)
127 < check_include_file(limits.h HAVE_LIMITS_H)
128 < check_include_file(stdlib.h HAVE_STDLIB_H)
129 < check_include_file(string.h HAVE_STRING_H)
130 < check_include_file("sys/ioctl.h" HAVE_SYS_IOCTL_H)
86 < check_include_file(unistd.h HAVE_UNISTD_H)
87 <
88 < #symbol checks
89 < include(CheckSymbolExists)
90 <
91 < #function checks
92 < include(CheckFunctionExists)
93 < check_function_exists(atexit HAVE_ATEXIT)
94 < check_function_exists(floor HAVE_FLOOR)
95 < check_function_exists(pow HAVE_POW)
96 < check_function_exists(select HAVE_SELECT)
97 < check_function_exists(sqrt HAVE_SQRT)
98 < check_function_exists(strcasecmp HAVE_STRCASECMP)
99 < check_function_exists(strchr HAVE_STRCHR)
100 < check_function_exists(strdup HAVE_STRDUP)
101 < check_function_exists(strncasecmp HAVE_STRNCASECMP)
102 < check_function_exists(strstr HAVE_STRSTR)
103 < check_function_exists(strtol HAVE_STRTOL)
104 < check_function_exists(strtoull HAVE_STRTOULL)
105 < check_function_exists(sysmp HAVE_SYSMP)
106 < check_function_exists(table HAVE_TABLE)
121 > # add a target to generate API documentation with Doxygen
122 > find_package(Doxygen)
123 > if(DOXYGEN_FOUND)
124 >  configure_file("${CMAKE_CURRENT_SOURCE_DIR}/doc/Doxyfile.in" "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile" @ONLY)
125 >  add_custom_target(doc
126 >    ${DOXYGEN_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/doc/Doxyfile"
127 >    WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/doc"
128 >    COMMENT "Generating API documentation with Doxygen" VERBATIM
129 >  )
130 > endif(DOXYGEN_FOUND)
131  
108 –
132   FIND_PACKAGE(Perl)
133   IF(PERL_FOUND)
134    SET(PERL ${PERL_EXECUTABLE})
# Line 122 | Line 145 | SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl install
145  
146   SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations")
147  
125 –
126 – include(CMakePrintSystemInformation)
127 –
148   configure_file (
149    "${PROJECT_SOURCE_DIR}/src/config.h.cmake"
150 <  "${PROJECT_SOURCE_DIR}/src/config.h"
151 <  )
152 < include_directories (${PROJECT_SOURCE_DIR}/src)
133 <
134 < #CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/config.h.in ${CMAKE_CURRENT_BINARY_DIR}/config.h)
135 <
150 >  "${PROJECT_BINARY_DIR}/config.h"
151 > )
152 > include_directories("${PROJECT_BINARY_DIR}" "${PROJECT_SOURCE_DIR}/src")
153  
154   #Add executables for build
155   set (PROGRAMS
# Line 356 | Line 373 | src/utils/ProgressBar.cpp
373   src/restraints/RestraintForceManager.cpp
374   src/restraints/ThermoIntegrationForceManager.cpp
375   src/utils/ProgressBar.cpp
376 < src/utils/simError.c
376 > src/utils/simError.cpp
377   )
378  
379   IF(QHULL_FOUND)
# Line 390 | Line 407 | target_link_libraries(openmd_MPI openmd_parallel openm
407   COMPILE_DEFINITIONS IS_MPI
408   )
409   target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core)
410 +  INSTALL(TARGETS
411 +        openmd_parallel openmd_MPI
412 +  RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
413 +  LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
414 +  ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
415 + )
416   ENDIF (MPI_FOUND)
417  
418   set (DUMP2XYZSOURCE
419   src/applications/dump2Xyz/Dump2XYZ.cpp
420 < src/applications/dump2Xyz/Dump2XYZCmd.c
420 > src/applications/dump2Xyz/Dump2XYZCmd.cpp
421   )
422  
423   set (DYNAMICPROPSSOURCE
# Line 415 | Line 438 | src/applications/dynamicProps/VCorrFunc.cpp
438   src/applications/dynamicProps/ThetaCorrFunc.cpp
439   src/applications/dynamicProps/TimeCorrFunc.cpp
440   src/applications/dynamicProps/VCorrFunc.cpp
441 < src/applications/dynamicProps/DynamicPropsCmd.c
441 > src/applications/dynamicProps/DynamicPropsCmd.cpp
442   )
443  
444   set (HYDROSOURCE
# Line 428 | Line 451 | src/applications/hydrodynamics/ShapeBuilder.cpp
451   src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp
452   src/applications/hydrodynamics/RoughShell.cpp
453   src/applications/hydrodynamics/ShapeBuilder.cpp
454 < src/applications/hydrodynamics/HydroCmd.c
454 > src/applications/hydrodynamics/HydroCmd.cpp
455   )
456  
457   set (STATICPROPSSOURCE
# Line 457 | Line 480 | src/applications/staticProps/TwoDGofR.cpp
480   src/applications/staticProps/StaticProps.cpp
481   src/applications/staticProps/TetrahedralityParam.cpp
482   src/applications/staticProps/TwoDGofR.cpp
483 < src/applications/staticProps/StaticPropsCmd.c
483 > src/applications/staticProps/StaticPropsCmd.cpp
484   )
485  
486   set (NANOPARTICLEBUILDERSOURCE
487   src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
488   src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp
489 < src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.c
489 > src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.cpp
490   )
491  
492   set (RANDOMBUILDERSOURCE
493   src/applications/randomBuilder/randomBuilder.cpp
494 < src/applications/randomBuilder/randomBuilderCmd.c
494 > src/applications/randomBuilder/randomBuilderCmd.cpp
495   )
496  
497   set(SIMPLEBUILDERSOURCE
498   src/applications/simpleBuilder/simpleBuilder.cpp
499 < src/applications/simpleBuilder/simpleBuilderCmd.c
499 > src/applications/simpleBuilder/simpleBuilderCmd.cpp
500   )
501  
502   set(THERMALIZERSOURCE
503   src/applications/thermalizer/thermalizer.cpp
504 < src/applications/thermalizer/thermalizerCmd.c
504 > src/applications/thermalizer/thermalizerCmd.cpp
505   )
506  
507   add_executable(Dump2XYZ ${DUMP2XYZSOURCE})
# Line 505 | Line 528 | src/applications/atom2md/openmdformat.cpp
528   )
529    add_executable(atom2md ${ATOM2MDSOURCE})
530    target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES})
531 +  INSTALL(TARGETS atom2md RUNTIME DESTINATION bin
532 +          PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
533   ENDIF (OPENBABEL2_FOUND)
534  
535  
# Line 518 | Line 543 | src/applications/utilities/waterRotator
543   src/applications/utilities/principalAxisCalculator
544   src/applications/utilities/stat2visco
545   src/applications/utilities/waterRotator
546 + src/applications/utilities/waterReplacer
547   )
548  
549   IF(PYTHON_EXECUTABLE)
550     foreach(PY_FILE ${PY_FILES})
551 <      configure_file(${PY_FILE} "${EXECUTABLE_OUTPUT_PATH}"/${PY_FILE} @ONLY)
551 >      GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME)
552 >      CONFIGURE_FILE(${PY_FILE}
553 >                     "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY)
554 >      INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}"
555 >              DESTINATION bin
556 >              PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
557     endforeach(PY_FILE)
527 – #INSTALL(FILES ${PY_FILES} DESTINATION ${EXECUTABLE_OUTPUT_PATH})
558   ENDIF(PYTHON_EXECUTABLE)
559  
560   set(PERL_FILES
# Line 534 | Line 564 | IF(PERL_FOUND)
564  
565   IF(PERL_FOUND)
566     foreach(PERL_FILE ${PERL_FILES})
567 <      configure_file(${PERL_FILE} "${EXECUTABLE_OUTPUT_PATH}"/${PERL_FILE} @ONLY)
568 <   endforeach(PERL_FILE)
569 < #INSTALL(FILES ${PERL_FILES} DESTINATION ${EXECUTABLE_OUTPUT_PATH})
567 >      GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME)
568 >      configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY)
569 >      INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}"
570 >              DESTINATION bin
571 >              PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
572 >
573 >   endforeach(PERL_FILE)
574   ENDIF(PERL_FOUND)
575 +
576 + INSTALL(FILES AUTHORS LICENSE README INSTALL DESTINATION .
577 +        PERMISSIONS OWNER_READ GROUP_READ WORLD_READ)
578 + INSTALL(TARGETS
579 +        openmd_core
580 +        openmd_single
581 +        openmd
582 +        Dump2XYZ
583 +        simpleBuilder
584 +        StaticProps
585 +        DynamicProps
586 +        randomBuilder
587 +        nanoparticleBuilder
588 +        thermalizer
589 +        Hydro
590 +  RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
591 +  LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
592 +  ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ
593 + )
594 +
595 + install(DIRECTORY forceFields/  
596 +        DESTINATION forceFields
597 +        DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
598 +        PATTERN ".svn" EXCLUDE
599 +        PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
600 + install(DIRECTORY samples/      
601 +        DESTINATION samples
602 +        DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
603 +        PATTERN ".svn" EXCLUDE
604 +        PATTERN "*.dump" EXCLUDE
605 +        PATTERN "*.stat" EXCLUDE
606 +        PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
607 + INSTALL(FILES "${CMAKE_CURRENT_SOURCE_DIR}/doc/OpenMDmanual.pdf"
608 +        DESTINATION doc
609 +        PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ)
610 +
611 + message( STATUS)
612 + message( STATUS "========== OpenMD Build Information ==========")
613 + message( STATUS "Current revision ........... = ${SVN_REV}")
614 + message( STATUS "CMAKE_SYSTEM ............... = ${CMAKE_SYSTEM}")
615 + message( STATUS "==============================================")
616 + message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}")
617 + message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}")
618 + message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}")
619 + message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}")
620 + message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}")
621 + message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}")
622 + message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}")
623 + message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}")
624 + message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}")
625 + message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}")
626 + message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}")
627 + message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}")
628 + message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}")
629 + message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}")
630 + message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}")
631 + message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}")
632 + message( STATUS "PERL_EXECUTABLE ............ = ${PERL}")
633 + message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON}")
634 + message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command")
635 + message(STATUS)
636 + message(STATUS "To build and install OpenMD, enter \"make\" and \"make install\"")

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