diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index a8b2428485..87dd9bc3ad 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -362,23 +362,12 @@ else() set(CUDA_REQUEST_PIC) endif() -include(Packages/KSPACE) -include(Packages/PYTHON) -include(Packages/VORONOI) -include(Packages/USER-COLVARS) -include(Packages/USER-MOLFILE) -include(Packages/USER-NETCDF) -include(Packages/USER-PLUMED) -include(Packages/USER-QMMM) -include(Packages/USER-QUIP) -include(Packages/USER-SCAFACOS) -include(Packages/USER-SMD) -include(Packages/USER-VTK) -include(Packages/KIM) -include(Packages/LATTE) -include(Packages/MESSAGE) -include(Packages/MSCG) -include(Packages/COMPRESS) +foreach(PKG_WITH_INCL KSPACE PYTHON VORONOI USER-COLVARS USER-MOLFILE USER-NETCDF USER-PLUMED USER-QMMM + USER-QUIP USER-SCAFACOS USER-SMD USER-VTK KIM LATTE MESSAGE MSCG COMPRESS) + if(PKG_${PKG_WITH_INCL}) + include(Packages/${_PKG_INCL}) + endif() +endforeach() set(CMAKE_TUNE_FLAGS "${CMAKE_TUNE_DEFAULT}" CACHE STRING "Compiler specific optimization or instrumentation") separate_arguments(CMAKE_TUNE_FLAGS) diff --git a/cmake/Modules/Packages/COMPRESS.cmake b/cmake/Modules/Packages/COMPRESS.cmake index ea5d5e37bd..801a38a215 100644 --- a/cmake/Modules/Packages/COMPRESS.cmake +++ b/cmake/Modules/Packages/COMPRESS.cmake @@ -1,4 +1,2 @@ -if(PKG_COMPRESS) - find_package(ZLIB REQUIRED) - target_link_libraries(lammps PRIVATE ZLIB::ZLIB) -endif() +find_package(ZLIB REQUIRED) +target_link_libraries(lammps PRIVATE ZLIB::ZLIB) diff --git a/cmake/Modules/Packages/KIM.cmake b/cmake/Modules/Packages/KIM.cmake index d9dde26d99..3051b528a1 100644 --- a/cmake/Modules/Packages/KIM.cmake +++ b/cmake/Modules/Packages/KIM.cmake @@ -1,61 +1,59 @@ -if(PKG_KIM) - set(KIM-API_MIN_VERSION 2.1) - find_package(CURL) - if(CURL_FOUND) - target_link_libraries(lammps PRIVATE CURL::libcurl) - target_compile_definitions(lammps PRIVATE -DLMP_KIM_CURL) - set(LMP_DEBUG_CURL OFF CACHE STRING "Set libcurl verbose mode on/off. If on, it displays a lot of verbose information about its operations.") - mark_as_advanced(LMP_DEBUG_CURL) - if(LMP_DEBUG_CURL) - target_compile_definitions(lammps PRIVATE -DLMP_DEBUG_CURL) - endif() - set(LMP_NO_SSL_CHECK OFF CACHE STRING "Tell libcurl to not verify the peer. If on, the connection succeeds regardless of the names in the certificate. Insecure - Use with caution!") - mark_as_advanced(LMP_NO_SSL_CHECK) - if(LMP_NO_SSL_CHECK) - target_compile_definitions(lammps PRIVATE -DLMP_NO_SSL_CHECK) - endif() +set(KIM-API_MIN_VERSION 2.1) +find_package(CURL) +if(CURL_FOUND) + target_link_libraries(lammps PRIVATE CURL::libcurl) + target_compile_definitions(lammps PRIVATE -DLMP_KIM_CURL) + set(LMP_DEBUG_CURL OFF CACHE STRING "Set libcurl verbose mode on/off. If on, it displays a lot of verbose information about its operations.") + mark_as_advanced(LMP_DEBUG_CURL) + if(LMP_DEBUG_CURL) + target_compile_definitions(lammps PRIVATE -DLMP_DEBUG_CURL) endif() - find_package(PkgConfig QUIET) - find_package(MPI REQUIRED) - set(DOWNLOAD_KIM_DEFAULT ON) - if(PKG_CONFIG_FOUND) - pkg_check_modules(KIM-API QUIET libkim-api>=2.1.3) - if(KIM-API_FOUND) - set(DOWNLOAD_KIM_DEFAULT OFF) - endif() - endif() - option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT}) - if(DOWNLOAD_KIM) - message(STATUS "KIM-API download requested - we will build our own") - include(ExternalProject) - enable_language(C) - enable_language(Fortran) - ExternalProject_Add(kim_build - URL https://s3.openkim.org/kim-api/kim-api-2.1.3.txz - URL_MD5 6ee829a1bbba5f8b9874c88c4c4ebff8 - BINARY_DIR build - CMAKE_ARGS ${CMAKE_REQUEST_PIC} - -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} - -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER} - -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} - -DCMAKE_INSTALL_LIBDIR=lib - -DCMAKE_INSTALL_PREFIX= - -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} - -DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} - -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE} - BUILD_BYPRODUCTS /lib/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX} - ) - ExternalProject_get_property(kim_build INSTALL_DIR) - file(MAKE_DIRECTORY ${INSTALL_DIR}/include/kim-api) - add_library(LAMMPS::KIM UNKNOWN IMPORTED) - set_target_properties(LAMMPS::KIM PROPERTIES - IMPORTED_LOCATION "${INSTALL_DIR}/lib/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX}" - INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include/kim-api") - target_link_libraries(lammps PRIVATE LAMMPS::KIM) - add_dependencies(LAMMPS::KIM kim_build) - else() - find_package(PkgConfig REQUIRED) - pkg_check_modules(KIM-API REQUIRED IMPORTED_TARGET libkim-api>=2.1.3) - target_link_libraries(lammps PRIVATE PkgConfig::KIM-API) + set(LMP_NO_SSL_CHECK OFF CACHE STRING "Tell libcurl to not verify the peer. If on, the connection succeeds regardless of the names in the certificate. Insecure - Use with caution!") + mark_as_advanced(LMP_NO_SSL_CHECK) + if(LMP_NO_SSL_CHECK) + target_compile_definitions(lammps PRIVATE -DLMP_NO_SSL_CHECK) endif() endif() +find_package(PkgConfig QUIET) +find_package(MPI REQUIRED) +set(DOWNLOAD_KIM_DEFAULT ON) +if(PKG_CONFIG_FOUND) + pkg_check_modules(KIM-API QUIET libkim-api>=2.1.3) + if(KIM-API_FOUND) + set(DOWNLOAD_KIM_DEFAULT OFF) + endif() +endif() +option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT}) +if(DOWNLOAD_KIM) + message(STATUS "KIM-API download requested - we will build our own") + include(ExternalProject) + enable_language(C) + enable_language(Fortran) + ExternalProject_Add(kim_build + URL https://s3.openkim.org/kim-api/kim-api-2.1.3.txz + URL_MD5 6ee829a1bbba5f8b9874c88c4c4ebff8 + BINARY_DIR build + CMAKE_ARGS ${CMAKE_REQUEST_PIC} + -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} + -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER} + -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} + -DCMAKE_INSTALL_LIBDIR=lib + -DCMAKE_INSTALL_PREFIX= + -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} + -DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} + -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE} + BUILD_BYPRODUCTS /lib/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX} + ) + ExternalProject_get_property(kim_build INSTALL_DIR) + file(MAKE_DIRECTORY ${INSTALL_DIR}/include/kim-api) + add_library(LAMMPS::KIM UNKNOWN IMPORTED) + set_target_properties(LAMMPS::KIM PROPERTIES + IMPORTED_LOCATION "${INSTALL_DIR}/lib/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX}" + INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include/kim-api") + target_link_libraries(lammps PRIVATE LAMMPS::KIM) + add_dependencies(LAMMPS::KIM kim_build) +else() + find_package(PkgConfig REQUIRED) + pkg_check_modules(KIM-API REQUIRED IMPORTED_TARGET libkim-api>=2.1.3) + target_link_libraries(lammps PRIVATE PkgConfig::KIM-API) +endif() diff --git a/cmake/Modules/Packages/KSPACE.cmake b/cmake/Modules/Packages/KSPACE.cmake index 83fb963e41..dce0c15ef6 100644 --- a/cmake/Modules/Packages/KSPACE.cmake +++ b/cmake/Modules/Packages/KSPACE.cmake @@ -1,58 +1,56 @@ -if(PKG_KSPACE) - option(FFT_SINGLE "Use single precision FFTs instead of double precision FFTs" OFF) - set(FFTW "FFTW3") - if(FFT_SINGLE) - set(FFTW "FFTW3F") - target_compile_definitions(lammps PUBLIC -DFFT_SINGLE) - endif() - find_package(${FFTW} QUIET) - if(${FFTW}_FOUND) - set(FFT "FFTW3" CACHE STRING "FFT library for KSPACE package") +option(FFT_SINGLE "Use single precision FFTs instead of double precision FFTs" OFF) +set(FFTW "FFTW3") +if(FFT_SINGLE) + set(FFTW "FFTW3F") + target_compile_definitions(lammps PUBLIC -DFFT_SINGLE) +endif() +find_package(${FFTW} QUIET) +if(${FFTW}_FOUND) + set(FFT "FFTW3" CACHE STRING "FFT library for KSPACE package") +else() + set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") +endif() +set(FFT_VALUES KISS FFTW3 MKL) +set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) +validate_option(FFT FFT_VALUES) +string(TOUPPER ${FFT} FFT) + +if(FFT STREQUAL "FFTW3") + find_package(${FFTW} REQUIRED) + target_compile_definitions(lammps PUBLIC -DFFT_FFTW3) + target_link_libraries(lammps PUBLIC ${FFTW}::${FFTW}) + if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY) + option(FFT_FFTW_THREADS "Use threaded FFTW library" ON) else() - set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") + option(FFT_FFTW_THREADS "Use threaded FFT library" OFF) endif() - set(FFT_VALUES KISS FFTW3 MKL) - set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) - validate_option(FFT FFT_VALUES) - string(TOUPPER ${FFT} FFT) - if(FFT STREQUAL "FFTW3") - find_package(${FFTW} REQUIRED) - target_compile_definitions(lammps PUBLIC -DFFT_FFTW3) - target_link_libraries(lammps PUBLIC ${FFTW}::${FFTW}) + if(FFT_FFTW_THREADS) if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY) - option(FFT_FFTW_THREADS "Use threaded FFTW library" ON) - else() - option(FFT_FFTW_THREADS "Use threaded FFT library" OFF) - endif() - - if(FFT_FFTW_THREADS) - if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY) target_compile_definitions(lammps PRIVATE -DFFT_FFTW_THREADS) target_link_libraries(lammps PRIVATE ${FFTW}::${FFTW}_OMP) - else() - message(FATAL_ERROR "Need OpenMP enabled FFTW3 library for FFT_THREADS") - endif() + else() + message(FATAL_ERROR "Need OpenMP enabled FFTW3 library for FFT_THREADS") endif() - elseif(FFT STREQUAL "MKL") - find_package(MKL REQUIRED) - target_compile_definitions(lammps PRIVATE -DFFT_MKL) - option(FFT_MKL_THREADS "Use threaded MKL FFT" ON) - if(FFT_MKL_THREADS) - target_compile_definitions(lammps PRIVATE -DFFT_MKL_THREADS) - endif() - target_link_libraries(lammps PRIVATE MKL::MKL) - else() - # last option is KISSFFT - target_compile_definitions(lammps PRIVATE -DFFT_KISS) endif() - - set(FFT_PACK "array" CACHE STRING "Optimization for FFT") - set(FFT_PACK_VALUES array pointer memcpy) - set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES}) - validate_option(FFT_PACK FFT_PACK_VALUES) - if(NOT FFT_PACK STREQUAL "array") - string(TOUPPER ${FFT_PACK} FFT_PACK) - target_compile_definitions(lammps PRIVATE -DFFT_PACK_${FFT_PACK}) +elseif(FFT STREQUAL "MKL") + find_package(MKL REQUIRED) + target_compile_definitions(lammps PRIVATE -DFFT_MKL) + option(FFT_MKL_THREADS "Use threaded MKL FFT" ON) + if(FFT_MKL_THREADS) + target_compile_definitions(lammps PRIVATE -DFFT_MKL_THREADS) endif() + target_link_libraries(lammps PRIVATE MKL::MKL) +else() + # last option is KISSFFT + target_compile_definitions(lammps PRIVATE -DFFT_KISS) +endif() + +set(FFT_PACK "array" CACHE STRING "Optimization for FFT") +set(FFT_PACK_VALUES array pointer memcpy) +set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES}) +validate_option(FFT_PACK FFT_PACK_VALUES) +if(NOT FFT_PACK STREQUAL "array") + string(TOUPPER ${FFT_PACK} FFT_PACK) + target_compile_definitions(lammps PRIVATE -DFFT_PACK_${FFT_PACK}) endif() diff --git a/cmake/Modules/Packages/LATTE.cmake b/cmake/Modules/Packages/LATTE.cmake index a016b46312..7b8025bf50 100644 --- a/cmake/Modules/Packages/LATTE.cmake +++ b/cmake/Modules/Packages/LATTE.cmake @@ -1,38 +1,36 @@ -if(PKG_LATTE) - enable_language(Fortran) - find_package(LATTE) - if(LATTE_FOUND) - set(DOWNLOAD_LATTE_DEFAULT OFF) - else() - set(DOWNLOAD_LATTE_DEFAULT ON) - endif() - option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT}) - if(DOWNLOAD_LATTE) - message(STATUS "LATTE download requested - we will build our own") - include(ExternalProject) - ExternalProject_Add(latte_build - URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz - URL_MD5 85ac414fdada2d04619c8f936344df14 - SOURCE_SUBDIR cmake - CMAKE_ARGS -DCMAKE_INSTALL_PREFIX= ${CMAKE_REQUEST_PIC} -DCMAKE_INSTALL_LIBDIR=lib - -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES} - -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_Fortran_FLAGS=${CMAKE_Fortran_FLAGS} - -DCMAKE_Fortran_FLAGS_${BTYPE}=${CMAKE_Fortran_FLAGS_${BTYPE}} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} - -DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE} - BUILD_BYPRODUCTS /lib/liblatte.a - ) - ExternalProject_get_property(latte_build INSTALL_DIR) - add_library(LAMMPS::LATTE UNKNOWN IMPORTED) - set_target_properties(LAMMPS::LATTE PROPERTIES - IMPORTED_LOCATION "${INSTALL_DIR}/lib/liblatte.a" - INTERFACE_LINK_LIBRARIES "${LAPACK_LIBRARIES}") - target_link_libraries(lammps PRIVATE LAMMPS::LATTE) - add_dependencies(LAMMPS::LATTE latte_build) - else() - find_package(LATTE) - if(NOT LATTE_FOUND) - message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it") - endif() - target_link_libraries(lammps PRIVATE LATTE::latte) - endif() +enable_language(Fortran) +find_package(LATTE) +if(LATTE_FOUND) + set(DOWNLOAD_LATTE_DEFAULT OFF) +else() + set(DOWNLOAD_LATTE_DEFAULT ON) +endif() +option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT}) +if(DOWNLOAD_LATTE) + message(STATUS "LATTE download requested - we will build our own") + include(ExternalProject) + ExternalProject_Add(latte_build + URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz + URL_MD5 85ac414fdada2d04619c8f936344df14 + SOURCE_SUBDIR cmake + CMAKE_ARGS -DCMAKE_INSTALL_PREFIX= ${CMAKE_REQUEST_PIC} -DCMAKE_INSTALL_LIBDIR=lib + -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES} + -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_Fortran_FLAGS=${CMAKE_Fortran_FLAGS} + -DCMAKE_Fortran_FLAGS_${BTYPE}=${CMAKE_Fortran_FLAGS_${BTYPE}} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} + -DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE} + BUILD_BYPRODUCTS /lib/liblatte.a + ) + ExternalProject_get_property(latte_build INSTALL_DIR) + add_library(LAMMPS::LATTE UNKNOWN IMPORTED) + set_target_properties(LAMMPS::LATTE PROPERTIES + IMPORTED_LOCATION "${INSTALL_DIR}/lib/liblatte.a" + INTERFACE_LINK_LIBRARIES "${LAPACK_LIBRARIES}") + target_link_libraries(lammps PRIVATE LAMMPS::LATTE) + add_dependencies(LAMMPS::LATTE latte_build) +else() + find_package(LATTE) + if(NOT LATTE_FOUND) + message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it") + endif() + target_link_libraries(lammps PRIVATE LATTE::latte) endif() diff --git a/cmake/Modules/Packages/MESSAGE.cmake b/cmake/Modules/Packages/MESSAGE.cmake index 053865cc8a..231c5d8aa0 100644 --- a/cmake/Modules/Packages/MESSAGE.cmake +++ b/cmake/Modules/Packages/MESSAGE.cmake @@ -1,37 +1,35 @@ -if(PKG_MESSAGE) - if(LAMMPS_SIZES STREQUAL BIGBIG) - message(FATAL_ERROR "The MESSAGE Package is not compatible with -DLAMMPS_BIGBIG") - endif() - option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF) - file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F - ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c - ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp) - - add_library(cslib STATIC ${cslib_SOURCES}) - if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) - install(TARGETS cslib EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) - endif() - target_compile_definitions(cslib PRIVATE -DLAMMPS_${LAMMPS_SIZES}) - set_target_properties(cslib PROPERTIES OUTPUT_NAME lammps_cslib${LAMMPS_LIB_SUFFIX}) - if(BUILD_MPI) - target_compile_definitions(cslib PRIVATE -DMPI_YES) - set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi") - target_link_libraries(cslib PRIVATE MPI::MPI_CXX) - else() - target_compile_definitions(cslib PRIVATE -DMPI_NO) - target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_MPI) - set_target_properties(cslib PROPERTIES OUTPUT_NAME "csnompi") - endif() - - if(MESSAGE_ZMQ) - target_compile_definitions(cslib PRIVATE -DZMQ_YES) - find_package(ZMQ REQUIRED) - target_link_libraries(cslib PUBLIC ZMQ::ZMQ) - else() - target_compile_definitions(cslib PRIVATE -DZMQ_NO) - target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_ZMQ) - endif() - - target_link_libraries(lammps PRIVATE cslib) - target_include_directories(lammps PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src) +if(LAMMPS_SIZES STREQUAL BIGBIG) + message(FATAL_ERROR "The MESSAGE Package is not compatible with -DLAMMPS_BIGBIG") endif() +option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF) +file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F + ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c + ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp) + +add_library(cslib STATIC ${cslib_SOURCES}) +if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) + install(TARGETS cslib EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) +endif() +target_compile_definitions(cslib PRIVATE -DLAMMPS_${LAMMPS_SIZES}) +set_target_properties(cslib PROPERTIES OUTPUT_NAME lammps_cslib${LAMMPS_LIB_SUFFIX}) +if(BUILD_MPI) + target_compile_definitions(cslib PRIVATE -DMPI_YES) + set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi") + target_link_libraries(cslib PRIVATE MPI::MPI_CXX) +else() + target_compile_definitions(cslib PRIVATE -DMPI_NO) + target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_MPI) + set_target_properties(cslib PROPERTIES OUTPUT_NAME "csnompi") +endif() + +if(MESSAGE_ZMQ) + target_compile_definitions(cslib PRIVATE -DZMQ_YES) + find_package(ZMQ REQUIRED) + target_link_libraries(cslib PUBLIC ZMQ::ZMQ) +else() + target_compile_definitions(cslib PRIVATE -DZMQ_NO) + target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_ZMQ) +endif() + +target_link_libraries(lammps PRIVATE cslib) +target_include_directories(lammps PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src) diff --git a/cmake/Modules/Packages/MSCG.cmake b/cmake/Modules/Packages/MSCG.cmake index eed598d851..55f71588fe 100644 --- a/cmake/Modules/Packages/MSCG.cmake +++ b/cmake/Modules/Packages/MSCG.cmake @@ -1,47 +1,45 @@ -if(PKG_MSCG) - find_package(GSL REQUIRED) - find_package(MSCG QUIET) - if(MSGC_FOUND) - set(DOWNLOAD_MSCG_DEFAULT OFF) - else() - set(DOWNLOAD_MSCG_DEFAULT ON) - endif() - option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" ${DOWNLOAD_MSCG_DEFAULT}) - if(DOWNLOAD_MSCG) - include(ExternalProject) - ExternalProject_Add(mscg_build - URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz - URL_MD5 8c45e269ee13f60b303edd7823866a91 - SOURCE_SUBDIR src/CMake - CMAKE_ARGS ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS} - -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} - -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER} - -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} - -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES} - -DCMAKE_INSTALL_PREFIX= - -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} - -DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} - -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE} - BUILD_COMMAND ${CMAKE_COMMAND} --build . --target mscg - INSTALL_COMMAND "" - BUILD_BYPRODUCTS /libmscg.a - ) - ExternalProject_get_property(mscg_build BINARY_DIR) - ExternalProject_get_property(mscg_build SOURCE_DIR) - file(MAKE_DIRECTORY ${SOURCE_DIR}/src) - add_library(LAMMPS::MSCG UNKNOWN IMPORTED) - set_target_properties(LAMMPS::MSCG PROPERTIES - IMPORTED_LOCATION "${BINARY_DIR}/libmscg.a" - INTERFACE_INCLUDE_DIRECTORIES "${SOURCE_DIR}/src" - INTERFACE_LINK_LIBRARIES "${LAPACK_LIBRARIES}") - target_link_libraries(lammps PRIVATE LAMMPS::MSCG) - add_dependencies(LAMMPS::MSCG mscg_build) - else() - find_package(MSCG) - if(NOT MSCG_FOUND) - message(FATAL_ERROR "MSCG not found, help CMake to find it by setting MSCG_LIBRARY and MSCG_INCLUDE_DIRS, or set DOWNLOAD_MSCG=ON to download it") - endif() - target_link_libraries(lammps PRIVATE MSCG::MSCG) - endif() - target_link_libraries(lammps PRIVATE GSL::gsl ${LAPACK_LIBRARIES}) +find_package(GSL REQUIRED) +find_package(MSCG QUIET) +if(MSGC_FOUND) + set(DOWNLOAD_MSCG_DEFAULT OFF) +else() + set(DOWNLOAD_MSCG_DEFAULT ON) endif() +option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" ${DOWNLOAD_MSCG_DEFAULT}) +if(DOWNLOAD_MSCG) + include(ExternalProject) + ExternalProject_Add(mscg_build + URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz + URL_MD5 8c45e269ee13f60b303edd7823866a91 + SOURCE_SUBDIR src/CMake + CMAKE_ARGS ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS} + -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} + -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER} + -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} + -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES} + -DCMAKE_INSTALL_PREFIX= + -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} + -DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} + -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE} + BUILD_COMMAND ${CMAKE_COMMAND} --build . --target mscg + INSTALL_COMMAND "" + BUILD_BYPRODUCTS /libmscg.a + ) + ExternalProject_get_property(mscg_build BINARY_DIR) + ExternalProject_get_property(mscg_build SOURCE_DIR) + file(MAKE_DIRECTORY ${SOURCE_DIR}/src) + add_library(LAMMPS::MSCG UNKNOWN IMPORTED) + set_target_properties(LAMMPS::MSCG PROPERTIES + IMPORTED_LOCATION "${BINARY_DIR}/libmscg.a" + INTERFACE_INCLUDE_DIRECTORIES "${SOURCE_DIR}/src" + INTERFACE_LINK_LIBRARIES "${LAPACK_LIBRARIES}") + target_link_libraries(lammps PRIVATE LAMMPS::MSCG) + add_dependencies(LAMMPS::MSCG mscg_build) +else() + find_package(MSCG) + if(NOT MSCG_FOUND) + message(FATAL_ERROR "MSCG not found, help CMake to find it by setting MSCG_LIBRARY and MSCG_INCLUDE_DIRS, or set DOWNLOAD_MSCG=ON to download it") + endif() + target_link_libraries(lammps PRIVATE MSCG::MSCG) +endif() +target_link_libraries(lammps PRIVATE GSL::gsl ${LAPACK_LIBRARIES}) diff --git a/cmake/Modules/Packages/PYTHON.cmake b/cmake/Modules/Packages/PYTHON.cmake index ba5ecff6bb..a577f824fe 100644 --- a/cmake/Modules/Packages/PYTHON.cmake +++ b/cmake/Modules/Packages/PYTHON.cmake @@ -1,11 +1,9 @@ -if(PKG_PYTHON) - if(CMAKE_VERSION VERSION_LESS 3.12) - find_package(PythonLibs REQUIRED) # Deprecated since version 3.12 - target_include_directories(lammps PRIVATE ${PYTHON_INCLUDE_DIR}) - target_link_libraries(lammps PRIVATE ${PYTHON_LIBRARY}) - else() - find_package(Python REQUIRED COMPONENTS Development) - target_link_libraries(lammps PRIVATE Python::Python) - endif() - target_compile_definitions(lammps PRIVATE -DLMP_PYTHON) +if(CMAKE_VERSION VERSION_LESS 3.12) + find_package(PythonLibs REQUIRED) # Deprecated since version 3.12 + target_include_directories(lammps PRIVATE ${PYTHON_INCLUDE_DIR}) + target_link_libraries(lammps PRIVATE ${PYTHON_LIBRARY}) +else() + find_package(Python REQUIRED COMPONENTS Development) + target_link_libraries(lammps PRIVATE Python::Python) endif() +target_compile_definitions(lammps PRIVATE -DLMP_PYTHON) diff --git a/cmake/Modules/Packages/USER-COLVARS.cmake b/cmake/Modules/Packages/USER-COLVARS.cmake index a0138df6ee..18931ae60b 100644 --- a/cmake/Modules/Packages/USER-COLVARS.cmake +++ b/cmake/Modules/Packages/USER-COLVARS.cmake @@ -1,36 +1,32 @@ -if(PKG_USER-COLVARS) +set(COLVARS_SOURCE_DIR ${LAMMPS_LIB_SOURCE_DIR}/colvars) - set(COLVARS_SOURCE_DIR ${LAMMPS_LIB_SOURCE_DIR}/colvars) +file(GLOB COLVARS_SOURCES ${COLVARS_SOURCE_DIR}/[^.]*.cpp) - file(GLOB COLVARS_SOURCES ${COLVARS_SOURCE_DIR}/[^.]*.cpp) +# Build Lepton by default +option(COLVARS_LEPTON "Build and link the Lepton library" ON) - # Build Lepton by default - option(COLVARS_LEPTON "Build and link the Lepton library" ON) - - if(COLVARS_LEPTON) - set(LEPTON_DIR ${LAMMPS_LIB_SOURCE_DIR}/colvars/lepton) - file(GLOB LEPTON_SOURCES ${LEPTON_DIR}/src/[^.]*.cpp) - add_library(lepton STATIC ${LEPTON_SOURCES}) - if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) - install(TARGETS lepton EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) - endif() - set_target_properties(lepton PROPERTIES OUTPUT_NAME lammps_lepton${LAMMPS_LIB_SUFFIX}) - target_include_directories(lepton PRIVATE ${LEPTON_DIR}/include) - endif() - - add_library(colvars STATIC ${COLVARS_SOURCES}) +if(COLVARS_LEPTON) + set(LEPTON_DIR ${LAMMPS_LIB_SOURCE_DIR}/colvars/lepton) + file(GLOB LEPTON_SOURCES ${LEPTON_DIR}/src/[^.]*.cpp) + add_library(lepton STATIC ${LEPTON_SOURCES}) if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) - install(TARGETS colvars EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) + install(TARGETS lepton EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) endif() - target_compile_definitions(colvars PRIVATE -DLAMMPS_${LAMMPS_SIZES}) - set_target_properties(colvars PROPERTIES OUTPUT_NAME lammps_colvars${LAMMPS_LIB_SUFFIX}) - target_include_directories(colvars PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/colvars) - target_link_libraries(lammps PRIVATE colvars) - - if(COLVARS_LEPTON) - target_link_libraries(lammps PRIVATE lepton) - target_compile_options(colvars PRIVATE -DLEPTON) - target_include_directories(colvars PUBLIC ${LEPTON_DIR}/include) - endif() - + set_target_properties(lepton PROPERTIES OUTPUT_NAME lammps_lepton${LAMMPS_LIB_SUFFIX}) + target_include_directories(lepton PRIVATE ${LEPTON_DIR}/include) +endif() + +add_library(colvars STATIC ${COLVARS_SOURCES}) +if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) + install(TARGETS colvars EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) +endif() +target_compile_definitions(colvars PRIVATE -DLAMMPS_${LAMMPS_SIZES}) +set_target_properties(colvars PROPERTIES OUTPUT_NAME lammps_colvars${LAMMPS_LIB_SUFFIX}) +target_include_directories(colvars PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/colvars) +target_link_libraries(lammps PRIVATE colvars) + +if(COLVARS_LEPTON) + target_link_libraries(lammps PRIVATE lepton) + target_compile_options(colvars PRIVATE -DLEPTON) + target_include_directories(colvars PUBLIC ${LEPTON_DIR}/include) endif() diff --git a/cmake/Modules/Packages/USER-MOLFILE.cmake b/cmake/Modules/Packages/USER-MOLFILE.cmake index 936a214bff..1a2061918f 100644 --- a/cmake/Modules/Packages/USER-MOLFILE.cmake +++ b/cmake/Modules/Packages/USER-MOLFILE.cmake @@ -1,13 +1,11 @@ -if(PKG_USER-MOLFILE) - set(MOLFILE_INCLUDE_DIRS "${LAMMPS_LIB_SOURCE_DIR}/molfile" CACHE STRING "Path to VMD molfile plugin headers") - add_library(molfile INTERFACE) - if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) - install(TARGETS molfile EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) - endif() - target_include_directories(molfile INTERFACE ${MOLFILE_INCLUDE_DIRS}) - # no need to link with -ldl on windows - if(NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows") - target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS}) - endif() - target_link_libraries(lammps PRIVATE molfile) +set(MOLFILE_INCLUDE_DIRS "${LAMMPS_LIB_SOURCE_DIR}/molfile" CACHE STRING "Path to VMD molfile plugin headers") +add_library(molfile INTERFACE) +if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) + install(TARGETS molfile EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) endif() +target_include_directories(molfile INTERFACE ${MOLFILE_INCLUDE_DIRS}) +# no need to link with -ldl on windows +if(NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows") + target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS}) +endif() +target_link_libraries(lammps PRIVATE molfile) diff --git a/cmake/Modules/Packages/USER-NETCDF.cmake b/cmake/Modules/Packages/USER-NETCDF.cmake index a149c7357d..91186c84db 100644 --- a/cmake/Modules/Packages/USER-NETCDF.cmake +++ b/cmake/Modules/Packages/USER-NETCDF.cmake @@ -1,22 +1,20 @@ -if(PKG_USER-NETCDF) - # USER-NETCDF can use NetCDF, Parallel NetCDF (PNetCDF), or both. At least one necessary. - # NetCDF library enables dump style "netcdf", while PNetCDF enables dump style "netcdf/mpiio" - find_package(NetCDF) - if(NETCDF_FOUND) - find_package(PNetCDF) - else(NETCDF_FOUND) - find_package(PNetCDF REQUIRED) - endif(NETCDF_FOUND) +# USER-NETCDF can use NetCDF, Parallel NetCDF (PNetCDF), or both. At least one necessary. +# NetCDF library enables dump style "netcdf", while PNetCDF enables dump style "netcdf/mpiio" +find_package(NetCDF) +if(NETCDF_FOUND) + find_package(PNetCDF) +else(NETCDF_FOUND) + find_package(PNetCDF REQUIRED) +endif(NETCDF_FOUND) - if(NETCDF_FOUND) - target_link_libraries(lammps PRIVATE NetCDF::NetCDF) - target_compile_definitions(lammps PRIVATE -DLMP_HAS_NETCDF) - endif(NETCDF_FOUND) +if(NETCDF_FOUND) + target_link_libraries(lammps PRIVATE NetCDF::NetCDF) + target_compile_definitions(lammps PRIVATE -DLMP_HAS_NETCDF) +endif(NETCDF_FOUND) - if(PNETCDF_FOUND) - target_link_libraries(lammps PRIVATE PNetCDF::PNetCDF) - target_compile_definitions(lammps PRIVATE -DLMP_HAS_PNETCDF) - endif(PNETCDF_FOUND) +if(PNETCDF_FOUND) + target_link_libraries(lammps PRIVATE PNetCDF::PNetCDF) + target_compile_definitions(lammps PRIVATE -DLMP_HAS_PNETCDF) +endif(PNETCDF_FOUND) - target_compile_definitions(lammps PRIVATE -DNC_64BIT_DATA=0x0020) -endif() +target_compile_definitions(lammps PRIVATE -DNC_64BIT_DATA=0x0020) diff --git a/cmake/Modules/Packages/USER-PLUMED.cmake b/cmake/Modules/Packages/USER-PLUMED.cmake index 0a9fea7b18..d47c365637 100644 --- a/cmake/Modules/Packages/USER-PLUMED.cmake +++ b/cmake/Modules/Packages/USER-PLUMED.cmake @@ -1,102 +1,100 @@ -if(PKG_USER-PLUMED) - set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library") - set(PLUMED_MODE_VALUES static shared runtime) - set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES}) - validate_option(PLUMED_MODE PLUMED_MODE_VALUES) - string(TOUPPER ${PLUMED_MODE} PLUMED_MODE) +set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library") +set(PLUMED_MODE_VALUES static shared runtime) +set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES}) +validate_option(PLUMED_MODE PLUMED_MODE_VALUES) +string(TOUPPER ${PLUMED_MODE} PLUMED_MODE) - set(PLUMED_LINK_LIBS) - if(PLUMED_MODE STREQUAL "STATIC") - find_package(LAPACK REQUIRED) - find_package(BLAS REQUIRED) - find_package(GSL REQUIRED) - list(APPEND PLUMED_LINK_LIBS ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} GSL::gsl) - find_package(ZLIB QUIET) - if(ZLIB_FOUND) - list(APPEND PLUMED_LINK_LIBS ZLIB::ZLIB) - endif() - find_package(FFTW3 QUIET) - if(FFTW3_FOUND) - list(APPEND PLUMED_LINK_LIBS FFTW3::FFTW3) - endif() +set(PLUMED_LINK_LIBS) +if(PLUMED_MODE STREQUAL "STATIC") + find_package(LAPACK REQUIRED) + find_package(BLAS REQUIRED) + find_package(GSL REQUIRED) + list(APPEND PLUMED_LINK_LIBS ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} GSL::gsl) + find_package(ZLIB QUIET) + if(ZLIB_FOUND) + list(APPEND PLUMED_LINK_LIBS ZLIB::ZLIB) endif() - - find_package(PkgConfig QUIET) - set(DOWNLOAD_PLUMED_DEFAULT ON) - if(PKG_CONFIG_FOUND) - pkg_check_modules(PLUMED QUIET plumed) - if(PLUMED_FOUND) - set(DOWNLOAD_PLUMED_DEFAULT OFF) - endif() + find_package(FFTW3 QUIET) + if(FFTW3_FOUND) + list(APPEND PLUMED_LINK_LIBS FFTW3::FFTW3) endif() - - option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT}) - if(DOWNLOAD_PLUMED) - if(BUILD_MPI) - set(PLUMED_CONFIG_MPI "--enable-mpi") - set(PLUMED_CONFIG_CC ${CMAKE_MPI_C_COMPILER}) - set(PLUMED_CONFIG_CXX ${CMAKE_MPI_CXX_COMPILER}) - else() - set(PLUMED_CONFIG_MPI "--disable-mpi") - set(PLUMED_CONFIG_CC ${CMAKE_C_COMPILER}) - set(PLUMED_CONFIG_CXX ${CMAKE_CXX_COMPILER}) - endif() - if(BUILD_OMP) - set(PLUMED_CONFIG_OMP "--enable-openmp") - else() - set(PLUMED_CONFIG_OMP "--disable-openmp") - endif() - message(STATUS "PLUMED download requested - we will build our own") - if(PLUMED_MODE STREQUAL "STATIC") - set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumed.a") - elseif(PLUMED_MODE STREQUAL "SHARED") - set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumed${CMAKE_SHARED_LIBRARY_SUFFIX};/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") - elseif(PLUMED_MODE STREQUAL "RUNTIME") - set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumedWrapper.a") - endif() - include(ExternalProject) - ExternalProject_Add(plumed_build - URL https://github.com/plumed/plumed2/releases/download/v2.6.0/plumed-src-2.6.0.tgz - URL_MD5 204d2edae58d9b10ba3ad460cad64191 - BUILD_IN_SOURCE 1 - CONFIGURE_COMMAND /configure --prefix= - ${CONFIGURE_REQUEST_PIC} - --enable-modules=all - ${PLUMED_CONFIG_MPI} - ${PLUMED_CONFIG_OMP} - CXX=${PLUMED_CONFIG_CXX} - CC=${PLUMED_CONFIG_CC} - BUILD_BYPRODUCTS ${PLUMED_BUILD_BYPRODUCTS} - ) - ExternalProject_get_property(plumed_build INSTALL_DIR) - add_library(LAMMPS::PLUMED UNKNOWN IMPORTED) - add_dependencies(LAMMPS::PLUMED plumed_build) - if(PLUMED_MODE STREQUAL "STATIC") - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_WRAPPER_CXX=1") - set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumed.a INTERFACE_LINK_LIBRARIES "${PLUMED_LINK_LIBS};${CMAKE_DL_LIBS}") - elseif(PLUMED_MODE STREQUAL "SHARED") - set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumed${CMAKE_SHARED_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX};${CMAKE_DL_LIBS}") - elseif(PLUMED_MODE STREQUAL "RUNTIME") - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_HAS_DLOPEN=1;__PLUMED_DEFAULT_KERNEL=${INSTALL_DIR}/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") - set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumedWrapper.a INTERFACE_LINK_LIBRARIES "${CMAKE_DL_LIBS}") - endif() - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES ${INSTALL_DIR}/include) - file(MAKE_DIRECTORY ${INSTALL_DIR}/include) - else() - find_package(PkgConfig REQUIRED) - pkg_check_modules(PLUMED REQUIRED plumed) - add_library(LAMMPS::PLUMED INTERFACE IMPORTED) - if(PLUMED_MODE STREQUAL "STATIC") - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_WRAPPER_CXX=1") - include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static) - elseif(PLUMED_MODE STREQUAL "SHARED") - include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared) - elseif(PLUMED_MODE STREQUAL "RUNTIME") - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_HAS_DLOPEN=1;__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") - include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime) - endif() - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_LINK_LIBRARIES "${PLUMED_LOAD}") - set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_INCLUDE_DIRS}") - endif() - target_link_libraries(lammps PRIVATE LAMMPS::PLUMED) endif() + +find_package(PkgConfig QUIET) +set(DOWNLOAD_PLUMED_DEFAULT ON) +if(PKG_CONFIG_FOUND) + pkg_check_modules(PLUMED QUIET plumed) + if(PLUMED_FOUND) + set(DOWNLOAD_PLUMED_DEFAULT OFF) + endif() +endif() + +option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT}) +if(DOWNLOAD_PLUMED) + if(BUILD_MPI) + set(PLUMED_CONFIG_MPI "--enable-mpi") + set(PLUMED_CONFIG_CC ${CMAKE_MPI_C_COMPILER}) + set(PLUMED_CONFIG_CXX ${CMAKE_MPI_CXX_COMPILER}) + else() + set(PLUMED_CONFIG_MPI "--disable-mpi") + set(PLUMED_CONFIG_CC ${CMAKE_C_COMPILER}) + set(PLUMED_CONFIG_CXX ${CMAKE_CXX_COMPILER}) + endif() + if(BUILD_OMP) + set(PLUMED_CONFIG_OMP "--enable-openmp") + else() + set(PLUMED_CONFIG_OMP "--disable-openmp") + endif() + message(STATUS "PLUMED download requested - we will build our own") + if(PLUMED_MODE STREQUAL "STATIC") + set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumed.a") + elseif(PLUMED_MODE STREQUAL "SHARED") + set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumed${CMAKE_SHARED_LIBRARY_SUFFIX};/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") + elseif(PLUMED_MODE STREQUAL "RUNTIME") + set(PLUMED_BUILD_BYPRODUCTS "/lib/libplumedWrapper.a") + endif() + include(ExternalProject) + ExternalProject_Add(plumed_build + URL https://github.com/plumed/plumed2/releases/download/v2.6.0/plumed-src-2.6.0.tgz + URL_MD5 204d2edae58d9b10ba3ad460cad64191 + BUILD_IN_SOURCE 1 + CONFIGURE_COMMAND /configure --prefix= + ${CONFIGURE_REQUEST_PIC} + --enable-modules=all + ${PLUMED_CONFIG_MPI} + ${PLUMED_CONFIG_OMP} + CXX=${PLUMED_CONFIG_CXX} + CC=${PLUMED_CONFIG_CC} + BUILD_BYPRODUCTS ${PLUMED_BUILD_BYPRODUCTS} + ) + ExternalProject_get_property(plumed_build INSTALL_DIR) + add_library(LAMMPS::PLUMED UNKNOWN IMPORTED) + add_dependencies(LAMMPS::PLUMED plumed_build) + if(PLUMED_MODE STREQUAL "STATIC") + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_WRAPPER_CXX=1") + set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumed.a INTERFACE_LINK_LIBRARIES "${PLUMED_LINK_LIBS};${CMAKE_DL_LIBS}") + elseif(PLUMED_MODE STREQUAL "SHARED") + set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumed${CMAKE_SHARED_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX};${CMAKE_DL_LIBS}") + elseif(PLUMED_MODE STREQUAL "RUNTIME") + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_HAS_DLOPEN=1;__PLUMED_DEFAULT_KERNEL=${INSTALL_DIR}/lib/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") + set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/libplumedWrapper.a INTERFACE_LINK_LIBRARIES "${CMAKE_DL_LIBS}") + endif() + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES ${INSTALL_DIR}/include) + file(MAKE_DIRECTORY ${INSTALL_DIR}/include) +else() + find_package(PkgConfig REQUIRED) + pkg_check_modules(PLUMED REQUIRED plumed) + add_library(LAMMPS::PLUMED INTERFACE IMPORTED) + if(PLUMED_MODE STREQUAL "STATIC") + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_WRAPPER_CXX=1") + include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static) + elseif(PLUMED_MODE STREQUAL "SHARED") + include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared) + elseif(PLUMED_MODE STREQUAL "RUNTIME") + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_HAS_DLOPEN=1;__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}") + include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime) + endif() + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_LINK_LIBRARIES "${PLUMED_LOAD}") + set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_INCLUDE_DIRS}") +endif() +target_link_libraries(lammps PRIVATE LAMMPS::PLUMED) diff --git a/cmake/Modules/Packages/USER-QMMM.cmake b/cmake/Modules/Packages/USER-QMMM.cmake index 19f5b88b74..60ca488817 100644 --- a/cmake/Modules/Packages/USER-QMMM.cmake +++ b/cmake/Modules/Packages/USER-QMMM.cmake @@ -1,17 +1,15 @@ -if(PKG_USER-QMMM) - enable_language(C) +enable_language(C) - if(NOT BUILD_LIB) - message(FATAL_ERROR "Building a QM/MM executable with USER-QMMM requires BUILD_LIB=yes") - endif() - if(NOT BUILD_SHARED_LIBS) - message(WARNING "It is recommended to use BUILD_SHARED_LIBS=yes with USER-QMMM") - endif() - add_library(qmmm STATIC ${LAMMPS_LIB_SOURCE_DIR}/qmmm/libqmmm.c) - if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) - install(TARGETS qmmm EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) - endif() - set_target_properties(qmmm PROPERTIES OUTPUT_NAME lammps_qmmm${LAMMPS_LIB_SUFFIX}) - target_link_libraries(lammps PRIVATE qmmm) - target_include_directories(qmmm PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/qmmm) +if(NOT BUILD_LIB) + message(FATAL_ERROR "Building a QM/MM executable with USER-QMMM requires BUILD_LIB=yes") endif() +if(NOT BUILD_SHARED_LIBS) + message(WARNING "It is recommended to use BUILD_SHARED_LIBS=yes with USER-QMMM") +endif() +add_library(qmmm STATIC ${LAMMPS_LIB_SOURCE_DIR}/qmmm/libqmmm.c) +if(BUILD_LIB AND NOT BUILD_SHARED_LIBS) + install(TARGETS qmmm EXPORT LAMMPS_Targets LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) +endif() +set_target_properties(qmmm PROPERTIES OUTPUT_NAME lammps_qmmm${LAMMPS_LIB_SUFFIX}) +target_link_libraries(lammps PRIVATE qmmm) +target_include_directories(qmmm PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/qmmm) diff --git a/cmake/Modules/Packages/USER-QUIP.cmake b/cmake/Modules/Packages/USER-QUIP.cmake index 4f41f9ef98..790f27def7 100644 --- a/cmake/Modules/Packages/USER-QUIP.cmake +++ b/cmake/Modules/Packages/USER-QUIP.cmake @@ -1,5 +1,3 @@ -if(PKG_USER-QUIP) - enable_language(Fortran) - find_package(QUIP REQUIRED) - target_link_libraries(lammps PRIVATE QUIP::QUIP ${LAPACK_LIBRARIES}) -endif() +enable_language(Fortran) +find_package(QUIP REQUIRED) +target_link_libraries(lammps PRIVATE QUIP::QUIP ${LAPACK_LIBRARIES}) diff --git a/cmake/Modules/Packages/USER-SCAFACOS.cmake b/cmake/Modules/Packages/USER-SCAFACOS.cmake index c8e0c41ebb..d92a83f7c1 100644 --- a/cmake/Modules/Packages/USER-SCAFACOS.cmake +++ b/cmake/Modules/Packages/USER-SCAFACOS.cmake @@ -1,61 +1,59 @@ -if(PKG_USER-SCAFACOS) - enable_language(Fortran) - enable_language(C) +enable_language(Fortran) +enable_language(C) - find_package(GSL REQUIRED) - find_package(PkgConfig QUIET) - find_package(MPI REQUIRED) - set(DOWNLOAD_SCAFACOS_DEFAULT ON) - if(PKG_CONFIG_FOUND) - pkg_check_modules(SCAFACOS QUIET scafacos) - if(SCAFACOS_FOUND) - set(DOWNLOAD_SCAFACOS_DEFAULT OFF) - endif() - endif() - option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" ${DOWNLOAD_SCAFACOS_DEFAULT}) - if(DOWNLOAD_SCAFACOS) - message(STATUS "ScaFaCoS download requested - we will build our own") - include(ExternalProject) - ExternalProject_Add(scafacos_build - URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz - URL_MD5 bd46d74e3296bd8a444d731bb10c1738 - CONFIGURE_COMMAND /configure --prefix= --disable-doc - --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m - --with-internal-fftw --with-internal-pfft - --with-internal-pnfft ${CONFIGURE_REQUEST_PIC} - FC=${CMAKE_MPI_Fortran_COMPILER} - CXX=${CMAKE_MPI_CXX_COMPILER} - CC=${CMAKE_MPI_C_COMPILER} - F77= - BUILD_BYPRODUCTS - /lib/libfcs.a - /lib/libfcs_direct.a - /lib/libfcs_ewald.a - /lib/libfcs_fmm.a - /lib/libfcs_p2nfft.a - /lib/libfcs_p3m.a - /lib/libfcs_near.a - /lib/libfcs_gridsort.a - /lib/libfcs_resort.a - /lib/libfcs_redist.a - /lib/libfcs_common.a - /lib/libfcs_pnfft.a - /lib/libfcs_pfft.a - /lib/libfcs_fftw3_mpi.a - /lib/libfcs_fftw3.a - ) - ExternalProject_get_property(scafacos_build INSTALL_DIR) - file(MAKE_DIRECTORY ${INSTALL_DIR}/include) - add_library(LAMMPS::SCAFACOS UNKNOWN IMPORTED) - set_target_properties(LAMMPS::SCAFACOS PROPERTIES - IMPORTED_LOCATION "${INSTALL_DIR}/lib/libfcs.a" - INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include" - INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/libfcs.a;${INSTALL_DIR}/lib/libfcs_direct.a;${INSTALL_DIR}/lib/libfcs_ewald.a;${INSTALL_DIR}/lib/libfcs_fmm.a;${INSTALL_DIR}/lib/libfcs_p2nfft.a;${INSTALL_DIR}/lib/libfcs_p3m.a;GSL::gsl;${INSTALL_DIR}/lib/libfcs_near.a;${INSTALL_DIR}/lib/libfcs_gridsort.a;${INSTALL_DIR}/lib/libfcs_resort.a;${INSTALL_DIR}/lib/libfcs_redist.a;${INSTALL_DIR}/lib/libfcs_common.a;${INSTALL_DIR}/lib/libfcs_pnfft.a;${INSTALL_DIR}/lib/libfcs_pfft.a;${INSTALL_DIR}/lib/libfcs_fftw3_mpi.a;${INSTALL_DIR}/lib/libfcs_fftw3.a;MPI::MPI_Fortran;MPI::MPI_C") - target_link_libraries(lammps PRIVATE LAMMPS::SCAFACOS) - add_dependencies(LAMMPS::SCAFACOS scafacos_build) - else() - find_package(PkgConfig REQUIRED) - pkg_check_modules(SCAFACOS REQUIRED IMPORTED_TARGET scafacos) - target_link_libraries(lammps PRIVATE PkgConfig::SCAFACOS) +find_package(GSL REQUIRED) +find_package(PkgConfig QUIET) +find_package(MPI REQUIRED) +set(DOWNLOAD_SCAFACOS_DEFAULT ON) +if(PKG_CONFIG_FOUND) + pkg_check_modules(SCAFACOS QUIET scafacos) + if(SCAFACOS_FOUND) + set(DOWNLOAD_SCAFACOS_DEFAULT OFF) endif() endif() +option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" ${DOWNLOAD_SCAFACOS_DEFAULT}) +if(DOWNLOAD_SCAFACOS) + message(STATUS "ScaFaCoS download requested - we will build our own") + include(ExternalProject) + ExternalProject_Add(scafacos_build + URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz + URL_MD5 bd46d74e3296bd8a444d731bb10c1738 + CONFIGURE_COMMAND /configure --prefix= --disable-doc + --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m + --with-internal-fftw --with-internal-pfft + --with-internal-pnfft ${CONFIGURE_REQUEST_PIC} + FC=${CMAKE_MPI_Fortran_COMPILER} + CXX=${CMAKE_MPI_CXX_COMPILER} + CC=${CMAKE_MPI_C_COMPILER} + F77= + BUILD_BYPRODUCTS + /lib/libfcs.a + /lib/libfcs_direct.a + /lib/libfcs_ewald.a + /lib/libfcs_fmm.a + /lib/libfcs_p2nfft.a + /lib/libfcs_p3m.a + /lib/libfcs_near.a + /lib/libfcs_gridsort.a + /lib/libfcs_resort.a + /lib/libfcs_redist.a + /lib/libfcs_common.a + /lib/libfcs_pnfft.a + /lib/libfcs_pfft.a + /lib/libfcs_fftw3_mpi.a + /lib/libfcs_fftw3.a + ) + ExternalProject_get_property(scafacos_build INSTALL_DIR) + file(MAKE_DIRECTORY ${INSTALL_DIR}/include) + add_library(LAMMPS::SCAFACOS UNKNOWN IMPORTED) + set_target_properties(LAMMPS::SCAFACOS PROPERTIES + IMPORTED_LOCATION "${INSTALL_DIR}/lib/libfcs.a" + INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include" + INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/libfcs.a;${INSTALL_DIR}/lib/libfcs_direct.a;${INSTALL_DIR}/lib/libfcs_ewald.a;${INSTALL_DIR}/lib/libfcs_fmm.a;${INSTALL_DIR}/lib/libfcs_p2nfft.a;${INSTALL_DIR}/lib/libfcs_p3m.a;GSL::gsl;${INSTALL_DIR}/lib/libfcs_near.a;${INSTALL_DIR}/lib/libfcs_gridsort.a;${INSTALL_DIR}/lib/libfcs_resort.a;${INSTALL_DIR}/lib/libfcs_redist.a;${INSTALL_DIR}/lib/libfcs_common.a;${INSTALL_DIR}/lib/libfcs_pnfft.a;${INSTALL_DIR}/lib/libfcs_pfft.a;${INSTALL_DIR}/lib/libfcs_fftw3_mpi.a;${INSTALL_DIR}/lib/libfcs_fftw3.a;MPI::MPI_Fortran;MPI::MPI_C") + target_link_libraries(lammps PRIVATE LAMMPS::SCAFACOS) + add_dependencies(LAMMPS::SCAFACOS scafacos_build) +else() + find_package(PkgConfig REQUIRED) + pkg_check_modules(SCAFACOS REQUIRED IMPORTED_TARGET scafacos) + target_link_libraries(lammps PRIVATE PkgConfig::SCAFACOS) +endif() diff --git a/cmake/Modules/Packages/USER-SMD.cmake b/cmake/Modules/Packages/USER-SMD.cmake index 98fad24e92..6984b24d52 100644 --- a/cmake/Modules/Packages/USER-SMD.cmake +++ b/cmake/Modules/Packages/USER-SMD.cmake @@ -1,30 +1,28 @@ -if(PKG_USER-SMD) - find_package(Eigen3 NO_MODULE) - if(EIGEN3_FOUND) - set(DOWNLOAD_EIGEN3_DEFAULT OFF) - else() - set(DOWNLOAD_EIGEN3_DEFAULT ON) - endif() - option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" ${DOWNLOAD_EIGEN3_DEFAULT}) - if(DOWNLOAD_EIGEN3) - message(STATUS "Eigen3 download requested - we will build our own") - include(ExternalProject) - ExternalProject_Add(Eigen3_build - URL http://bitbucket.org/eigen/eigen/get/3.3.7.tar.gz - URL_MD5 f2a417d083fe8ca4b8ed2bc613d20f07 - CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" - ) - ExternalProject_get_property(Eigen3_build SOURCE_DIR) - add_library(LAMMPS::EIGEN3 INTERFACE IMPORTED) - set_target_properties(LAMMPS::EIGEN3 PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${SOURCE_DIR}") - target_link_libraries(lammps PRIVATE LAMMPS::EIGEN3) - add_dependencies(LAMMPS::EIGEN3 Eigen3_build) - else() - find_package(Eigen3 NO_MODULE) - mark_as_advanced(Eigen3_DIR) - if(NOT EIGEN3_FOUND) - message(FATAL_ERROR "Eigen3 not found, help CMake to find it by setting EIGEN3_INCLUDE_DIR, or set DOWNLOAD_EIGEN3=ON to download it") - endif() - target_link_libraries(lammps PRIVATE Eigen3::Eigen) - endif() +find_package(Eigen3 NO_MODULE) +if(EIGEN3_FOUND) + set(DOWNLOAD_EIGEN3_DEFAULT OFF) +else() + set(DOWNLOAD_EIGEN3_DEFAULT ON) +endif() +option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" ${DOWNLOAD_EIGEN3_DEFAULT}) +if(DOWNLOAD_EIGEN3) + message(STATUS "Eigen3 download requested - we will build our own") + include(ExternalProject) + ExternalProject_Add(Eigen3_build + URL http://bitbucket.org/eigen/eigen/get/3.3.7.tar.gz + URL_MD5 f2a417d083fe8ca4b8ed2bc613d20f07 + CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" + ) + ExternalProject_get_property(Eigen3_build SOURCE_DIR) + add_library(LAMMPS::EIGEN3 INTERFACE IMPORTED) + set_target_properties(LAMMPS::EIGEN3 PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${SOURCE_DIR}") + target_link_libraries(lammps PRIVATE LAMMPS::EIGEN3) + add_dependencies(LAMMPS::EIGEN3 Eigen3_build) +else() + find_package(Eigen3 NO_MODULE) + mark_as_advanced(Eigen3_DIR) + if(NOT EIGEN3_FOUND) + message(FATAL_ERROR "Eigen3 not found, help CMake to find it by setting EIGEN3_INCLUDE_DIR, or set DOWNLOAD_EIGEN3=ON to download it") + endif() + target_link_libraries(lammps PRIVATE Eigen3::Eigen) endif() diff --git a/cmake/Modules/Packages/USER-VTK.cmake b/cmake/Modules/Packages/USER-VTK.cmake index 61defcbf82..8c4445167a 100644 --- a/cmake/Modules/Packages/USER-VTK.cmake +++ b/cmake/Modules/Packages/USER-VTK.cmake @@ -1,6 +1,4 @@ -if(PKG_USER-VTK) - find_package(VTK REQUIRED NO_MODULE) - include(${VTK_USE_FILE}) - target_compile_definitions(lammps PRIVATE -DLAMMPS_VTK) - target_link_libraries(lammps PRIVATE ${VTK_LIBRARIES}) -endif() +find_package(VTK REQUIRED NO_MODULE) +include(${VTK_USE_FILE}) +target_compile_definitions(lammps PRIVATE -DLAMMPS_VTK) +target_link_libraries(lammps PRIVATE ${VTK_LIBRARIES}) diff --git a/cmake/Modules/Packages/VORONOI.cmake b/cmake/Modules/Packages/VORONOI.cmake index 99afbbd7b3..39d494928b 100644 --- a/cmake/Modules/Packages/VORONOI.cmake +++ b/cmake/Modules/Packages/VORONOI.cmake @@ -1,46 +1,44 @@ -if(PKG_VORONOI) - find_package(VORO) - if(VORO_FOUND) - set(DOWNLOAD_VORO_DEFAULT OFF) - else() - set(DOWNLOAD_VORO_DEFAULT ON) - endif() - option(DOWNLOAD_VORO "Download and compile the Voro++ library instead of using an already installed one" ${DOWNLOAD_VORO_DEFAULT}) - if(DOWNLOAD_VORO) - message(STATUS "Voro++ download requested - we will build our own") - include(ExternalProject) - - if(BUILD_SHARED_LIBS) - set(VORO_BUILD_CFLAGS "${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}") - else() - set(VORO_BUILD_CFLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}") - endif() - if(APPLE) - get_filename_component(VORO_CXX ${CMAKE_CXX_COMPILER} NAME_WE) - set(VORO_BUILD_OPTIONS CXX=${VORO_CXX} CFLAGS=${VORO_BUILD_CFLAGS}) - else() - set(VORO_BUILD_OPTIONS CXX=${CMAKE_CXX_COMPILER} CFLAGS=${VORO_BUILD_CFLAGS}) - endif() - - ExternalProject_Add(voro_build - URL https://download.lammps.org/thirdparty/voro++-0.4.6.tar.gz - URL_MD5 2338b824c3b7b25590e18e8df5d68af9 - CONFIGURE_COMMAND "" BUILD_COMMAND make ${VORO_BUILD_OPTIONS} BUILD_IN_SOURCE 1 INSTALL_COMMAND "" - BUILD_BYPRODUCTS /src/libvoro++.a - ) - ExternalProject_get_property(voro_build SOURCE_DIR) - file(MAKE_DIRECTORY ${SOURCE_DIR}/src) - add_library(LAMMPS::VORO UNKNOWN IMPORTED) - set_target_properties(LAMMPS::VORO PROPERTIES - IMPORTED_LOCATION "${SOURCE_DIR}/src/libvoro++.a" - INTERFACE_INCLUDE_DIRECTORIES "${SOURCE_DIR}/src") - target_link_libraries(lammps PRIVATE LAMMPS::VORO) - add_dependencies(LAMMPS::VORO voro_build) - else() - find_package(VORO) - if(NOT VORO_FOUND) - message(FATAL_ERROR "Voro++ library not found. Help CMake to find it by setting VORO_LIBRARY and VORO_INCLUDE_DIR, or set DOWNLOAD_VORO=ON to download it") - endif() - target_link_libraries(lammps PRIVATE VORO::VORO) - endif() +find_package(VORO) +if(VORO_FOUND) + set(DOWNLOAD_VORO_DEFAULT OFF) +else() + set(DOWNLOAD_VORO_DEFAULT ON) +endif() +option(DOWNLOAD_VORO "Download and compile the Voro++ library instead of using an already installed one" ${DOWNLOAD_VORO_DEFAULT}) +if(DOWNLOAD_VORO) + message(STATUS "Voro++ download requested - we will build our own") + include(ExternalProject) + + if(BUILD_SHARED_LIBS) + set(VORO_BUILD_CFLAGS "${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}") + else() + set(VORO_BUILD_CFLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}") + endif() + if(APPLE) + get_filename_component(VORO_CXX ${CMAKE_CXX_COMPILER} NAME_WE) + set(VORO_BUILD_OPTIONS CXX=${VORO_CXX} CFLAGS=${VORO_BUILD_CFLAGS}) + else() + set(VORO_BUILD_OPTIONS CXX=${CMAKE_CXX_COMPILER} CFLAGS=${VORO_BUILD_CFLAGS}) + endif() + + ExternalProject_Add(voro_build + URL https://download.lammps.org/thirdparty/voro++-0.4.6.tar.gz + URL_MD5 2338b824c3b7b25590e18e8df5d68af9 + CONFIGURE_COMMAND "" BUILD_COMMAND make ${VORO_BUILD_OPTIONS} BUILD_IN_SOURCE 1 INSTALL_COMMAND "" + BUILD_BYPRODUCTS /src/libvoro++.a + ) + ExternalProject_get_property(voro_build SOURCE_DIR) + file(MAKE_DIRECTORY ${SOURCE_DIR}/src) + add_library(LAMMPS::VORO UNKNOWN IMPORTED) + set_target_properties(LAMMPS::VORO PROPERTIES + IMPORTED_LOCATION "${SOURCE_DIR}/src/libvoro++.a" + INTERFACE_INCLUDE_DIRECTORIES "${SOURCE_DIR}/src") + target_link_libraries(lammps PRIVATE LAMMPS::VORO) + add_dependencies(LAMMPS::VORO voro_build) +else() + find_package(VORO) + if(NOT VORO_FOUND) + message(FATAL_ERROR "Voro++ library not found. Help CMake to find it by setting VORO_LIBRARY and VORO_INCLUDE_DIR, or set DOWNLOAD_VORO=ON to download it") + endif() + target_link_libraries(lammps PRIVATE VORO::VORO) endif()