update CMake script for PLUMED package to support cross-compilation to Windows
This commit is contained in:
Axel Kohlmeyer
@ -1,106 +1,169 @@
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set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")
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set(PLUMED_MODE_VALUES static shared runtime)
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set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})
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validate_option(PLUMED_MODE PLUMED_MODE_VALUES)
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string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)
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# Plumed2 support for PLUMED package
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set(PLUMED_LINK_LIBS)
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if(PLUMED_MODE STREQUAL "STATIC")
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find_package(LAPACK REQUIRED)
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find_package(BLAS REQUIRED)
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find_package(GSL REQUIRED)
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list(APPEND PLUMED_LINK_LIBS ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} GSL::gsl)
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find_package(ZLIB QUIET)
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if(ZLIB_FOUND)
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list(APPEND PLUMED_LINK_LIBS ZLIB::ZLIB)
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endif()
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find_package(FFTW3 QUIET)
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if(FFTW3_FOUND)
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list(APPEND PLUMED_LINK_LIBS FFTW3::FFTW3)
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endif()
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if(BUILD_MPI)
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set(PLUMED_CONFIG_MPI "--enable-mpi")
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set(PLUMED_CONFIG_CC ${CMAKE_MPI_C_COMPILER})
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set(PLUMED_CONFIG_CXX ${CMAKE_MPI_CXX_COMPILER})
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set(PLUMED_CONFIG_CPP "-I ${MPI_CXX_INCLUDE_PATH}")
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set(PLUMED_CONFIG_LIB "${MPI_CXX_LIBRARIES}")
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set(PLUMED_CONFIG_DEP "mpi4win_build")
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else()
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set(PLUMED_CONFIG_MPI "--disable-mpi")
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set(PLUMED_CONFIG_CC ${CMAKE_C_COMPILER})
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set(PLUMED_CONFIG_CXX ${CMAKE_CXX_COMPILER})
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set(PLUMED_CONFIG_CPP "")
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set(PLUMED_CONFIG_LIB "")
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set(PLUMED_CONFIG_DEP "")
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endif()
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if(BUILD_OMP)
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set(PLUMED_CONFIG_OMP "--enable-openmp")
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else()
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set(PLUMED_CONFIG_OMP "--disable-openmp")
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endif()
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find_package(PkgConfig QUIET)
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set(DOWNLOAD_PLUMED_DEFAULT ON)
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if(PKG_CONFIG_FOUND)
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pkg_check_modules(PLUMED QUIET plumed)
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if(PLUMED_FOUND)
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set(DOWNLOAD_PLUMED_DEFAULT OFF)
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endif()
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endif()
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set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.8.2/plumed-src-2.8.2.tgz"
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CACHE STRING "URL for PLUMED tarball")
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set(PLUMED_MD5 "599092b6a0aa6fff992612537ad98994" CACHE STRING "MD5 checksum of PLUMED tarball")
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option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT})
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if(DOWNLOAD_PLUMED)
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if(BUILD_MPI)
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set(PLUMED_CONFIG_MPI "--enable-mpi")
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set(PLUMED_CONFIG_CC ${CMAKE_MPI_C_COMPILER})
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set(PLUMED_CONFIG_CXX ${CMAKE_MPI_CXX_COMPILER})
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mark_as_advanced(PLUMED_URL)
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mark_as_advanced(PLUMED_MD5)
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GetFallbackURL(PLUMED_URL PLUMED_FALLBACK)
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if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING))
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if(CMAKE_SYSTEM_PROCESSOR STREQUAL "x86_64")
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set(CROSS_CONFIGURE mingw64-configure)
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elseif(CMAKE_SYSTEM_PROCESSOR STREQUAL "x86")
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set(CROSS_CONFIGURE mingw32-configure)
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else()
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set(PLUMED_CONFIG_MPI "--disable-mpi")
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set(PLUMED_CONFIG_CC ${CMAKE_C_COMPILER})
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set(PLUMED_CONFIG_CXX ${CMAKE_CXX_COMPILER})
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message(FATAL_ERROR "Unsupported target system: ${CMAKE_SYSTEM_NAME}/${CMAKE_SYSTEM_PROCESSOR}")
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endif()
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if(BUILD_OMP)
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set(PLUMED_CONFIG_OMP "--enable-openmp")
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else()
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set(PLUMED_CONFIG_OMP "--disable-openmp")
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endif()
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message(STATUS "PLUMED download requested - we will build our own")
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if(PLUMED_MODE STREQUAL "STATIC")
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set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX}")
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elseif(PLUMED_MODE STREQUAL "SHARED")
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set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumed${CMAKE_SHARED_LIBRARY_SUFFIX};<INSTALL_DIR>/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}")
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elseif(PLUMED_MODE STREQUAL "RUNTIME")
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set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumedWrapper${CMAKE_STATIC_LIBRARY_PREFIX}")
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endif()
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set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.8.1/plumed-src-2.8.1.tgz" CACHE STRING "URL for PLUMED tarball")
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set(PLUMED_MD5 "6bfe72ebdae63dc38a9ca27d9b0e08f8" CACHE STRING "MD5 checksum of PLUMED tarball")
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mark_as_advanced(PLUMED_URL)
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mark_as_advanced(PLUMED_MD5)
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GetFallbackURL(PLUMED_URL PLUMED_FALLBACK)
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message(STATUS "Downloading and cross-compiling Plumed2 for ${CMAKE_SYSTEM_NAME}/${CMAKE_SYSTEM_PROCESSOR} with ${CROSS_CONFIGURE}")
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include(ExternalProject)
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ExternalProject_Add(plumed_build
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URL ${PLUMED_URL} ${PLUMED_FALLBACK}
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URL_MD5 ${PLUMED_MD5}
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BUILD_IN_SOURCE 1
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CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
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CONFIGURE_COMMAND ${CROSS_CONFIGURE} --disable-shared --disable-bsymbolic
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--disable-python --enable-cxx=11
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--enable-modules=-adjmat:+crystallization:-dimred:+drr:+eds:-fisst:+funnel:+logmfd:+manyrestraints:+maze:+opes:+multicolvar:-pamm:-piv:+s2cm:-sasa:-ves
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${PLUMED_CONFIG_OMP}
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${PLUMED_CONFIG_MPI}
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CXX=${PLUMED_CONFIG_CXX}
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CC=${PLUMED_CONFIG_CC}
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CPPFLAGS=${PLUMED_CONFIG_CPP}
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LIBS=${PLUMED_CONFIG_LIB}
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INSTALL_COMMAND ""
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BUILD_BYPRODUCTS "<SOURCE_DIR>/src/lib/install/libplumed.a" "<SOURCE_DIR>/src/lib/install/plumed.exe"
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DEPENDS "${PLUMED_MPI_CONFIG_DEP}"
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)
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ExternalProject_Get_Property(plumed_build SOURCE_DIR)
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set(PLUMED_BUILD_DIR ${SOURCE_DIR})
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set(PLUMED_INSTALL_DIR ${PLUMED_BUILD_DIR}/src/lib/install)
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file(MAKE_DIRECTORY ${PLUMED_BUILD_DIR}/src/include)
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add_library(LAMMPS::PLUMED UNKNOWN IMPORTED)
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add_dependencies(LAMMPS::PLUMED plumed_build)
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set_target_properties(LAMMPS::PLUMED PROPERTIES
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IMPORTED_LOCATION "${PLUMED_INSTALL_DIR}/libplumed.a"
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INTERFACE_LINK_LIBRARIES "-Wl,--image-base -Wl,0x10000000 -lfftw3 -lz -fstack-protector -lssp -fopenmp"
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INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_BUILD_DIR}/src/include")
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add_custom_target(plumed_copy ALL ${CMAKE_COMMAND} -E rm -rf ${CMAKE_BINARY_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/plumed_patches
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COMMAND ${CMAKE_COMMAND} -E copy ${PLUMED_INSTALL_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/plumed.exe
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COMMAND ${CMAKE_COMMAND} -E copy_directory ${PLUMED_BUILD_DIR}/patches ${CMAKE_BINARY_DIR}/patches
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BYPRODUCTS ${CMAKE_BINARY_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/patches
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DEPENDS plumed_build
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COMMENT "Copying Plumed files"
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)
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else()
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set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")
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set(PLUMED_MODE_VALUES static shared runtime)
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set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})
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validate_option(PLUMED_MODE PLUMED_MODE_VALUES)
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string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)
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set(PLUMED_LINK_LIBS)
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if(PLUMED_MODE STREQUAL "STATIC")
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find_package(LAPACK REQUIRED)
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find_package(BLAS REQUIRED)
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find_package(GSL REQUIRED)
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list(APPEND PLUMED_LINK_LIBS ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} GSL::gsl)
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find_package(ZLIB QUIET)
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if(ZLIB_FOUND)
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list(APPEND PLUMED_LINK_LIBS ZLIB::ZLIB)
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endif()
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find_package(FFTW3 QUIET)
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if(FFTW3_FOUND)
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list(APPEND PLUMED_LINK_LIBS FFTW3::FFTW3)
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endif()
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endif()
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find_package(PkgConfig QUIET)
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set(DOWNLOAD_PLUMED_DEFAULT ON)
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if(PKG_CONFIG_FOUND)
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pkg_check_modules(PLUMED QUIET plumed)
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if(PLUMED_FOUND)
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set(DOWNLOAD_PLUMED_DEFAULT OFF)
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endif()
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endif()
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option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT})
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if(DOWNLOAD_PLUMED)
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message(STATUS "PLUMED download requested - we will build our own")
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if(PLUMED_MODE STREQUAL "STATIC")
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set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX}")
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elseif(PLUMED_MODE STREQUAL "SHARED")
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set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumed${CMAKE_SHARED_LIBRARY_SUFFIX};<INSTALL_DIR>/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}")
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elseif(PLUMED_MODE STREQUAL "RUNTIME")
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set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumedWrapper${CMAKE_STATIC_LIBRARY_PREFIX}")
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endif()
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include(ExternalProject)
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ExternalProject_Add(plumed_build
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URL ${PLUMED_URL} ${PLUMED_FALLBACK}
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URL_MD5 ${PLUMED_MD5}
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BUILD_IN_SOURCE 1
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CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
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${CONFIGURE_REQUEST_PIC}
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--enable-modules=all
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--enable-cxx=11
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--disable-python
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${PLUMED_CONFIG_MPI}
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${PLUMED_CONFIG_OMP}
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CXX=${PLUMED_CONFIG_CXX}
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CC=${PLUMED_CONFIG_CC}
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BUILD_BYPRODUCTS ${PLUMED_BUILD_BYPRODUCTS}
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)
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ExternalProject_get_property(plumed_build INSTALL_DIR)
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add_library(LAMMPS::PLUMED UNKNOWN IMPORTED)
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add_dependencies(LAMMPS::PLUMED plumed_build)
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if(PLUMED_MODE STREQUAL "STATIC")
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set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${PLUMED_LINK_LIBS};${CMAKE_DL_LIBS}")
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elseif(PLUMED_MODE STREQUAL "SHARED")
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set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumed${CMAKE_SHARED_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX};${CMAKE_DL_LIBS}")
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elseif(PLUMED_MODE STREQUAL "RUNTIME")
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_DEFAULT_KERNEL=${INSTALL_DIR}/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}")
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set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumedWrapper${CMAKE_STATIC_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${CMAKE_DL_LIBS}")
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BUILD_BYPRODUCTS ${PLUMED_BUILD_BYPRODUCTS}
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)
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ExternalProject_get_property(plumed_build INSTALL_DIR)
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add_library(LAMMPS::PLUMED UNKNOWN IMPORTED)
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add_dependencies(LAMMPS::PLUMED plumed_build)
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if(PLUMED_MODE STREQUAL "STATIC")
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set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${PLUMED_LINK_LIBS};${CMAKE_DL_LIBS}")
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elseif(PLUMED_MODE STREQUAL "SHARED")
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set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumed${CMAKE_SHARED_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${INSTALL_DIR}/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX};${CMAKE_DL_LIBS}")
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elseif(PLUMED_MODE STREQUAL "RUNTIME")
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_DEFAULT_KERNEL=${INSTALL_DIR}/lib/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}")
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set_target_properties(LAMMPS::PLUMED PROPERTIES IMPORTED_LOCATION ${INSTALL_DIR}/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumedWrapper${CMAKE_STATIC_LIBRARY_SUFFIX} INTERFACE_LINK_LIBRARIES "${CMAKE_DL_LIBS}")
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endif()
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES ${INSTALL_DIR}/include)
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file(MAKE_DIRECTORY ${INSTALL_DIR}/include)
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else()
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find_package(PkgConfig REQUIRED)
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pkg_check_modules(PLUMED REQUIRED plumed)
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add_library(LAMMPS::PLUMED INTERFACE IMPORTED)
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if(PLUMED_MODE STREQUAL "STATIC")
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include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
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elseif(PLUMED_MODE STREQUAL "SHARED")
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include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared)
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elseif(PLUMED_MODE STREQUAL "RUNTIME")
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}")
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include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime)
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endif()
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_LINK_LIBRARIES "${PLUMED_LOAD}")
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_INCLUDE_DIRS}")
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endif()
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES ${INSTALL_DIR}/include)
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file(MAKE_DIRECTORY ${INSTALL_DIR}/include)
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else()
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find_package(PkgConfig REQUIRED)
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pkg_check_modules(PLUMED REQUIRED plumed)
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add_library(LAMMPS::PLUMED INTERFACE IMPORTED)
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if(PLUMED_MODE STREQUAL "STATIC")
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include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
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elseif(PLUMED_MODE STREQUAL "SHARED")
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include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared)
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elseif(PLUMED_MODE STREQUAL "RUNTIME")
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_COMPILE_DEFINITIONS "__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/${CMAKE_SHARED_LIBRARY_PREFIX}plumedKernel${CMAKE_SHARED_LIBRARY_SUFFIX}")
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include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime)
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endif()
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_LINK_LIBRARIES "${PLUMED_LOAD}")
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set_target_properties(LAMMPS::PLUMED PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_INCLUDE_DIRS}")
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endif()
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target_link_libraries(lammps PRIVATE LAMMPS::PLUMED)
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