| 84 |
|
SET(USE_OPENBABEL) |
| 85 |
|
include_directories(${OPENBABEL2_INCLUDE_DIR}) |
| 86 |
|
# link libraries are added only for targets that need them. |
| 87 |
+ |
ELSE(OPENBABEL2_FOUND) |
| 88 |
+ |
MESSAGE(STATUS, "No OpenBabel found - will not build atom2md") |
| 89 |
|
ENDIF(OPENBABEL2_FOUND) |
| 90 |
|
|
| 91 |
|
#Look for QHULL Libraries |
| 94 |
|
SET(HAVE_QHULL 1) |
| 95 |
|
include_directories(${QHULL_INCLUDE_DIR}) |
| 96 |
|
LINK_LIBRARIES(${QHULL_LIBRARIES}) |
| 97 |
+ |
ELSE(QHULL_FOUND) |
| 98 |
+ |
MESSAGE(STATUS, "No Qhull found - will be missing some features") |
| 99 |
|
ENDIF(QHULL_FOUND) |
| 100 |
|
|
| 101 |
|
# zlib stuff |
| 105 |
|
add_definitions(-DHAVE_LIBZ) |
| 106 |
|
include_directories(${ZLIB_INCLUDE_DIR}) |
| 107 |
|
LINK_LIBRARIES(${ZLIB_LIBRARIES}) |
| 108 |
+ |
ELSE(ZLIB_FOUND) |
| 109 |
+ |
MESSAGE(STATUS, "No zlib found - will be missing compressed dump files") |
| 110 |
|
endif(ZLIB_FOUND) |
| 111 |
|
|
| 112 |
< |
#FFTW |
| 112 |
> |
#FFTW3 |
| 113 |
|
IF(SINGLE_PRECISION) |
| 114 |
|
find_package(FFTW3 COMPONENTS single) |
| 115 |
|
else() |
| 121 |
|
SET(HAVE_FFTW3_H 1) |
| 122 |
|
INCLUDE_DIRECTORIES(${FFTW3_INCLUDE_DIR}) |
| 123 |
|
LINK_LIBRARIES(${FFTW3_LIBRARIES}) |
| 124 |
+ |
ELSE(FFTW3_FOUND) |
| 125 |
+ |
MESSAGE(STATUS, "No fftw3 found - will be missing some analysis modules") |
| 126 |
|
endif (FFTW3_FOUND) |
| 127 |
|
|
| 128 |
|
|
| 141 |
|
IF(PERL_FOUND) |
| 142 |
|
SET(PERL ${PERL_EXECUTABLE}) |
| 143 |
|
ELSE(PERL_FOUND) |
| 144 |
< |
MESSAGE(STATUS "Failed to find perl") |
| 144 |
> |
MESSAGE(STATUS "Failed to find perl - some scripts will not be made") |
| 145 |
|
ENDIF(PERL_FOUND) |
| 146 |
|
|
| 147 |
+ |
SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation |
| 148 |
+ |
locations") |
| 149 |
+ |
|
| 150 |
|
FIND_PACKAGE(PythonInterp) |
| 151 |
|
IF(PYTHON_EXECUTABLE) |
| 152 |
|
SET(PYTHON ${PYTHON_EXECUTABLE}) |
| 153 |
|
ELSE(PYTHON_EXECUTABLE) |
| 154 |
< |
MESSAGE(STATUS "Failed to find python") |
| 154 |
> |
MESSAGE(STATUS "Failed to find python - some scripts will not be made") |
| 155 |
|
ENDIF(PYTHON_EXECUTABLE) |
| 145 |
– |
|
| 146 |
– |
SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations") |
| 156 |
|
|
| 157 |
|
configure_file ( |
| 158 |
|
"${PROJECT_SOURCE_DIR}/src/config.h.cmake" |
| 536 |
|
src/applications/atom2md/openmdformat.cpp |
| 537 |
|
) |
| 538 |
|
add_executable(atom2md ${ATOM2MDSOURCE}) |
| 539 |
< |
target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES}) |
| 539 |
> |
target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LDFLAGS}) |
| 540 |
|
INSTALL(TARGETS atom2md RUNTIME DESTINATION bin |
| 541 |
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
| 542 |
|
ENDIF (OPENBABEL2_FOUND) |
| 624 |
|
message( STATUS "==============================================") |
| 625 |
|
message( STATUS "CMAKE_BUILD_TYPE ........... = ${CMAKE_BUILD_TYPE}") |
| 626 |
|
message( STATUS "CMAKE_INSTALL_PREFIX ....... = ${CMAKE_INSTALL_PREFIX}") |
| 627 |
+ |
message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}") |
| 628 |
|
message( STATUS "CMAKE_CXX_COMPILER ......... = ${CMAKE_CXX_COMPILER}") |
| 629 |
|
message( STATUS "MPI_CXX_COMPILER ........... = ${MPI_CXX_COMPILER}") |
| 630 |
|
message( STATUS "MPI_CXX_INCLUDE_PATH ....... = ${MPI_CXX_INCLUDE_PATH}") |
| 631 |
|
message( STATUS "MPI_CXX_LIBRARIES .......... = ${MPI_CXX_LIBRARIES}") |
| 622 |
– |
message( STATUS "Build as SINGLE_PRECISION .. = ${SINGLE_PRECISION}") |
| 632 |
|
message( STATUS "OPENBABEL2_INCLUDE_DIR ..... = ${OPENBABEL2_INCLUDE_DIR}") |
| 633 |
|
message( STATUS "OPENBABEL2_LIBRARIES ....... = ${OPENBABEL2_LIBRARIES}") |
| 634 |
+ |
message( STATUS "OPENBABEL2_LIBRARY_DIRS .... = ${OPENBABEL2_LIBRARY_DIRS}") |
| 635 |
+ |
message( STATUS "OPENBABEL2_LDFLAGS ......... = ${OPENBABEL2_LDFLAGS}") |
| 636 |
+ |
message( STATUS "QHULL_ROOT ................. = ${QHULL_ROOT}") |
| 637 |
|
message( STATUS "QHULL_INCLUDE_DIR .......... = ${QHULL_INCLUDE_DIR}") |
| 638 |
|
message( STATUS "QHULL_LIBRARIES ............ = ${QHULL_LIBRARIES}") |
| 639 |
+ |
message( STATUS "ZLIB_ROOT .................. = ${ZLIB_ROOT}") |
| 640 |
|
message( STATUS "ZLIB_INCLUDE_DIR ........... = ${ZLIB_INCLUDE_DIR}") |
| 641 |
|
message( STATUS "ZLIB_LIBRARIES ............. = ${ZLIB_LIBRARIES}") |
| 642 |
+ |
message( STATUS "FFTW3_ROOT_DIR ............. = ${FFTW3_ROOT_DIR}") |
| 643 |
|
message( STATUS "FFTW3_INCLUDE_DIR .......... = ${FFTW3_INCLUDE_DIR}") |
| 644 |
|
message( STATUS "FFTW3_LIBRARIES ............ = ${FFTW3_LIBRARIES}") |
| 645 |
+ |
message( STATUS "PERL_EXECUTABLE ............ = ${PERL_EXECUTABLE}") |
| 646 |
+ |
message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON_EXECUTABLE}") |
| 647 |
|
message( STATUS "DOXYGEN_EXECUTABLE ......... = ${DOXYGEN_EXECUTABLE}") |
| 648 |
< |
message( STATUS "PERL_EXECUTABLE ............ = ${PERL}") |
| 633 |
< |
message( STATUS "PYTHON_EXECUTABLE .......... = ${PYTHON}") |
| 648 |
> |
message( STATUS ) |
| 649 |
|
message( STATUS "To override these options, add -D{OPTION_NAME}=... to the cmake command") |
| 650 |
+ |
message( STATUS "Particularly useful defines are for QHULL_ROOT and FFTW3_ROOT_DIR") |
| 651 |
|
message(STATUS) |
| 652 |
|
message(STATUS "To build and install OpenMD, enter \"make\" and \"make install\"") |
