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Fully integrate cross-compiling Plumed2 lib into CMake build system

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This commit is contained in:
Axel Kohlmeyer
2023-04-10 07:14:07 -04:00
parent f84a31dfdf
commit bc4d664f2b
1 changed files with 60 additions and 27 deletions
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87
cmake/Modules/Packages/PLUMED.cmake
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@ -1,12 +1,66 @@
# Plumed2 support for PLUMED package # Plumed2 support for PLUMED package
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})
set(PLUMED_CONFIG_CPP "-I ${MPI_CXX_INCLUDE_PATH}")
set(PLUMED_CONFIG_LIB "${MPI_CXX_LIBRARIES}")
set(PLUMED_CONFIG_DEP "mpi4win_build")
else()
set(PLUMED_CONFIG_MPI "--disable-mpi")
set(PLUMED_CONFIG_CC ${CMAKE_C_COMPILER})
set(PLUMED_CONFIG_CXX ${CMAKE_CXX_COMPILER})
set(PLUMED_CONFIG_CPP "")
set(PLUMED_CONFIG_LIB "")
set(PLUMED_CONFIG_DEP "")
endif()
if(BUILD_OMP)
set(PLUMED_CONFIG_OMP "--enable-openmp")
else()
set(PLUMED_CONFIG_OMP "--disable-openmp")
endif()
set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.8.2/plumed-src-2.8.2.tgz"
CACHE STRING "URL for PLUMED tarball")
set(PLUMED_MD5 "599092b6a0aa6fff992612537ad98994" CACHE STRING "MD5 checksum of PLUMED tarball")
mark_as_advanced(PLUMED_URL)
mark_as_advanced(PLUMED_MD5)
GetFallbackURL(PLUMED_URL PLUMED_FALLBACK)
if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING)) if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING))
# special case for cross-compiling to windows with externally cross-compiled plumed tree if(CMAKE_SYSTEM_PROCESSOR STREQUAL "x86_64")
if(NOT PLUMED_BUILD_DIR) set(CROSS_CONFIGURE mingw64-configure)
message(FATAL_ERROR "Must set PLUMED_BUILD_DIR when cross-compiling for Windows") elseif(CMAKE_SYSTEM_PROCESSOR STREQUAL "x86")
set(CROSS_CONFIGURE mingw32-configure)
else() else()
set(PLUMED_INSTALL_DIR "${PLUMED_BUILD_DIR}/src/lib/install") message(FATAL_ERROR "Unsupported target system: ${CMAKE_SYSTEM_NAME}/${CMAKE_SYSTEM_PROCESSOR}")
endif() endif()
message(STATUS "Downloading and cross-compiling Plumed2 for ${CMAKE_SYSTEM_NAME}/${CMAKE_SYSTEM_PROCESSOR} with ${CROSS_CONFIGURE}")
include(ExternalProject)
ExternalProject_Add(plumed_build
URL ${PLUMED_URL} ${PLUMED_FALLBACK}
URL_MD5 ${PLUMED_MD5}
BUILD_IN_SOURCE 1
CONFIGURE_COMMAND ${CROSS_CONFIGURE} --disable-shared --disable-bsymbolic
--disable-python --enable-cxx=11
--enable-modules=-adjmat:+crystallization:-dimred:+drr:+eds:-fisst:+funnel:+logmfd:+manyrestraints:+maze:+opes:+multicolvar:-pamm:-piv:+s2cm:-sasa:-ves
${PLUMED_CONFIG_OMP}
${PLUMED_CONFIG_MPI}
CXX=${PLUMED_CONFIG_CXX}
CC=${PLUMED_CONFIG_CC}
CPPFLAGS=${PLUMED_CONFIG_CPP}
LIBS=${PLUMED_CONFIG_LIB}
INSTALL_COMMAND ""
BUILD_BYPRODUCTS "<SOURCE_DIR>/src/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX}" "<SOURCE_DIR>/src/lib/install/plumed{EXE_SUFFIX}"
DEPENDS "${PLUMED_MPI_CONFIG_DEP}"
)
ExternalProject_Get_Property(plumed_build SOURCE_DIR)
set(PLUMED_BUILD_DIR ${SOURCE_DIR})
set(PLUMED_INSTALL_DIR ${PLUMED_BUILD_DIR}/src/lib/install)
file(MAKE_DIRECTORY ${PLUMED_BUILD_DIR}/src/include)
add_library(LAMMPS::PLUMED UNKNOWN IMPORTED) add_library(LAMMPS::PLUMED UNKNOWN IMPORTED)
set_target_properties(LAMMPS::PLUMED PROPERTIES set_target_properties(LAMMPS::PLUMED PROPERTIES
IMPORTED_LOCATION "${PLUMED_INSTALL_DIR}/libplumed.a" IMPORTED_LOCATION "${PLUMED_INSTALL_DIR}/libplumed.a"
@ -14,22 +68,16 @@ if((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND (CMAKE_CROSSCOMPILING))
INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_BUILD_DIR}/src/include") INTERFACE_INCLUDE_DIRECTORIES "${PLUMED_BUILD_DIR}/src/include")
target_link_libraries(lammps PRIVATE LAMMPS::PLUMED) target_link_libraries(lammps PRIVATE LAMMPS::PLUMED)
add_custom_target(copy_plumed ALL ${CMAKE_COMMAND} -E rm -rf ${CMAKE_BINARY_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/plumed_patches add_custom_target(plumed_copy ALL ${CMAKE_COMMAND} -E rm -rf ${CMAKE_BINARY_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/plumed_patches
COMMAND ${CMAKE_COMMAND} -E copy ${PLUMED_INSTALL_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/plumed.exe COMMAND ${CMAKE_COMMAND} -E copy ${PLUMED_INSTALL_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/plumed.exe
COMMAND ${CMAKE_COMMAND} -E copy_directory ${PLUMED_BUILD_DIR}/patches ${CMAKE_BINARY_DIR}/patches COMMAND ${CMAKE_COMMAND} -E copy_directory ${PLUMED_BUILD_DIR}/patches ${CMAKE_BINARY_DIR}/patches
BYPRODUCTS ${CMAKE_BINARY_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/patches BYPRODUCTS ${CMAKE_BINARY_DIR}/plumed.exe ${CMAKE_BINARY_DIR}/patches
DEPENDS plumed_build
COMMENT "Copying Plumed files" COMMENT "Copying Plumed files"
) )
else() else()
set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.8.2/plumed-src-2.8.2.tgz" CACHE STRING "URL for PLUMED tarball")
set(PLUMED_MD5 "599092b6a0aa6fff992612537ad98994" CACHE STRING "MD5 checksum of PLUMED tarball")
mark_as_advanced(PLUMED_URL)
mark_as_advanced(PLUMED_MD5)
GetFallbackURL(PLUMED_URL PLUMED_FALLBACK)
set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library") set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")
set(PLUMED_MODE_VALUES static shared runtime) set(PLUMED_MODE_VALUES static shared runtime)
set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES}) set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})
@ -63,20 +111,6 @@ else()
option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT}) option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT})
if(DOWNLOAD_PLUMED) 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 ${CMAKE_CXX_COMPILER})
endif()
if(BUILD_OMP)
set(PLUMED_CONFIG_OMP "--enable-openmp")
else()
set(PLUMED_CONFIG_OMP "--disable-openmp")
endif()
message(STATUS "PLUMED download requested - we will build our own") message(STATUS "PLUMED download requested - we will build our own")
if(PLUMED_MODE STREQUAL "STATIC") if(PLUMED_MODE STREQUAL "STATIC")
set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX}") set(PLUMED_BUILD_BYPRODUCTS "<INSTALL_DIR>/lib/${CMAKE_STATIC_LIBRARY_PREFIX}plumed${CMAKE_STATIC_LIBRARY_SUFFIX}")
@ -96,7 +130,6 @@ else()
--enable-modules=all --enable-modules=all
--enable-cxx=11 --enable-cxx=11
--disable-python --disable-python
--disable-doc
${PLUMED_CONFIG_MPI} ${PLUMED_CONFIG_MPI}
${PLUMED_CONFIG_OMP} ${PLUMED_CONFIG_OMP}
CXX=${PLUMED_CONFIG_CXX} CXX=${PLUMED_CONFIG_CXX}