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CMakeLists.txt
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CMakeLists.txt
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cmake_minimum_required(VERSION 3.14)
project(mcell)
if ("${PYTHON_VERSION}" STREQUAL "")
set(PYTHON_VERSION 3.9)
endif()
string(REPLACE "\." "" PYTHON_VERSION_NO_DOT ${PYTHON_VERSION})
set(CMAKE_CXX_FLAGS "-DPYTHON_VERSION=${PYTHON_VERSION_NO_DOT}")
set(PYBIND11_PYTHON_VERSION ${PYTHON_VERSION})
find_package(Python3 ${PYBIND11_PYTHON_VERSION} EXACT REQUIRED COMPONENTS Interpreter Development)
message("-- Python3 include dirs are ${Python3_INCLUDE_DIRS}")
include_directories(${Python3_INCLUDE_DIRS})
add_definitions(-DPACKAGE_BUGREPORT="[email protected]")
#TODO: unify case for cmake commands, e.g. set vs SET
set(CMAKE_CXX_STANDARD 17)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
if(MSVC)
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /std:c++latest")
add_definitions(-DYY_NO_UNISTD_H)
add_definitions(/EHsc)
endif(MSVC)
#set(CMAKE_CXX_EXTENSIONS OFF)
# Using default gcc 8.3.0 provided in Debian 10
# causes a segfault in nfSIM, however different gcc is ok
if(CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 8.3.0)
message(FATAL_ERROR
"There is an error in nfSim, possibly due to a compiler issue, with gcc-8.3.0. "
"Use a different compiler with CC=... and CXX=... "
)
endif()
# add VTK libs VTK and headers
set(VTK_DIR ${CMAKE_SOURCE_DIR}/../mcell_tools/work/build_vtk)
find_package(VTK REQUIRED)
# jsoncpp_test cannot be built with gperftools linking options
add_subdirectory(${CMAKE_SOURCE_DIR}/libs/jsoncpp ${CMAKE_CURRENT_BINARY_DIR}/libs/jsoncpp)
if (NOT WIN32)
SET(CMAKE_C_FLAGS_DEBUG "${CMAKE_C_FLAGS_DEBUG} -O0 ")
SET(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -O0 ")
if (CMAKE_BUILD_TYPE STREQUAL "Release")
# when -march=native or -march=haswell is enabled, there is some error in MCell3 wall
# overlap detection, can be checked with mcell_tests_private/benchmarks/mdl/B4110_neuropil_no_custom_timestep
# seems to be related to AVX2, maybe gcc issue
# changing to sandybridge gives 2-6% in performance (in executed instructions), however
# MCell does not work afterwards on machines such as Mac Mini 2018 with Intel i5
set(OPTIMIZATION_FLAGS " -O3 -g -march=core2 -finline-limit=10000 ")
# must not be used for pymcell (at least for now)
set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -no-pie ")
endif()
set(WARNING_FLAGS "-Wall -Wextra -Wno-unused-parameter -Wno-unused-function -Wno-unused-variable -Wno-deprecated-declarations")
if (CMAKE_CXX_COMPILER_ID STREQUAL "Clang")
set(WARNING_FLAGS "${WARNING_FLAGS} -Wno-ignored-optimization-argument")
endif()
set(INCLUDE_DIRS " -isystem ${CMAKE_SOURCE_DIR}/libs/")
set(COMMON_C_CXX_FLAGS "${WARNING_FLAGS} -fPIC -g3 ${OPTIMIZATION_FLAGS} ${INCLUDE_DIRS} -D_GNU_SOURCE=1 ")
set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${COMMON_C_CXX_FLAGS} -std=c11 ")
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${COMMON_C_CXX_FLAGS} -std=c++17 -fpermissive ")
set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -lm -L ${CMAKE_CURRENT_BINARY_DIR}/libs/jsoncpp/src/lib_json")
# special performance and debug options are not supported on Windows
option(ENABLE_LTO "Use link-time optimization" OFF)
option(ENABLE_GCOV "Use gcc coverage" OFF)
option(ENABLE_GPROF "Use gprof profiling" OFF)
option(ENABLE_GPERFTOOLS "Build with gperftools profiling" OFF)
option(ENABLE_SANITIZER "Use address sanitizer" OFF)
if (ENABLE_LTO)
SET(CMAKE_AR "gcc-ar")
SET(CMAKE_LD "gcc-ld")
SET(CMAKE_RANLIB "gcc-ranlib")
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -flto ")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -flto ")
SET(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -flto ")
endif()
if (ENABLE_GCOV)
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -fprofile-arcs -ftest-coverage ")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fprofile-arcs -ftest-coverage ")
endif()
if (ENABLE_GPROF)
# gcc 6.3 generates PIC code by default, this does not work with gprof, -no-pie disables it
SET(COMMON_PROFILING_FLAGS "-pg -no-pie -fno-omit-frame-pointer -finline-limit=20")
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${COMMON_PROFILING_FLAGS}")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${COMMON_PROFILING_FLAGS}")
SET(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${COMMON_PROFILING_FLAGS}")
endif()
if (ENABLE_GPERFTOOLS)
# build and install gperftools, for now it is done manually
# using script build_gperftools.sh
# then to run profiling
# CPUPROFILE=./prof.out mcell
# or
# LD_PRELOAD='/mnt/code/src4/mcell/build/install_gperftools/lib/libprofiler.so' CPUPROFILE=./prof.out python model.py
# pprof --text <app> ./prof.out # text output
# pprof --gv <app> ./prof.out # graphical output, requires gv installed
# (http://euccas.github.io/blog/20170827/cpu-profiling-tools-on-linux.html)
# pybind11 ignores CMAKE_SHARED_LINKER_FLAGS so we must put the -L args to CXX flags as well
SET(CMAKE_INCLUDE_GPERF_FLAGS "-L${CMAKE_CURRENT_BINARY_DIR}/libs/install_gperftools/lib/ -L${CMAKE_CURRENT_SOURCE_DIR}/build/install_gperftools/lib/")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DWITHGPERFTOOLS -I${CMAKE_CURRENT_BINARY_DIR}/libs/ ${CMAKE_INCLUDE_GPERF_FLAGS}")
SET(CMAKE_LD_GPERF_FLAGS "${CMAKE_INCLUDE_GPERF_FLAGS} -lprofiler ")
SET(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${CMAKE_LD_GPERF_FLAGS}")
SET(CMAKE_SHARED_LINKER_FLAGS "${CMAKE_SHARED_LINKER_FLAGS} ${CMAKE_LD_GPERF_FLAGS}")
SET(GPERFTOOLS_LIB "profiler")
else()
SET(GPERFTOOLS_LIB "")
endif()
if (ENABLE_SANITIZER)
SET(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -fsanitize=address ")
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=address ")
SET(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -lasan ")
endif()
endif() # if (NOT WIN32)
# directories holding flex/bison files and out of source includes.
file(MAKE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/deps)
include_directories(
"${CMAKE_SOURCE_DIR}/src"
"${CMAKE_SOURCE_DIR}/src4" all
"${CMAKE_CURRENT_BINARY_DIR}/deps"
"${CMAKE_SOURCE_DIR}/../nfsimCInterface/src/"
"${CMAKE_SOURCE_DIR}/include"
"${CMAKE_SOURCE_DIR}/../libbng/"
"${CMAKE_SOURCE_DIR}/../libbng/libs/"
"${CMAKE_SOURCE_DIR}/../libbng/libs/sparsehash/src/"
"${CMAKE_SOURCE_DIR}/libs"
"${CMAKE_SOURCE_DIR}/libmcell"
# VTK - should be set by find_package but it does not work somehow...
"${CMAKE_SOURCE_DIR}/../VTK/Common/DataModel/"
"${VTK_DIR}/Common/DataModel/"
"${CMAKE_SOURCE_DIR}/../VTK/Common/Core/"
"${VTK_DIR}/Common/Core/"
"${CMAKE_SOURCE_DIR}/../VTK/Common/Transforms/"
"${VTK_DIR}/Common/Transforms/"
"${CMAKE_SOURCE_DIR}/../VTK/Common/Math/"
"${VTK_DIR}/Common/Math/"
"${CMAKE_SOURCE_DIR}/../VTK/Filters/Core/"
"${VTK_DIR}/Filters/Core/"
"${CMAKE_SOURCE_DIR}/../VTK/Filters/Modeling/"
"${VTK_DIR}/Filters/Modeling/"
"${CMAKE_SOURCE_DIR}/../VTK/Filters/Sources/"
"${VTK_DIR}/Filters/Sources/"
"${CMAKE_SOURCE_DIR}/../VTK/Rendering/Core/"
"${VTK_DIR}/Rendering/Core/"
"${CMAKE_SOURCE_DIR}/../VTK/Rendering/Context2D/"
"${VTK_DIR}/Rendering/Context2D/"
"${CMAKE_SOURCE_DIR}/../VTK/Rendering/FreeType/"
"${VTK_DIR}/Rendering/FreeType/"
"${CMAKE_SOURCE_DIR}/../VTK/IO/Export/"
"${VTK_DIR}/IO/Export/"
"${CMAKE_SOURCE_DIR}/../VTK/IO/Image/"
"${VTK_DIR}/IO/Image/"
"${CMAKE_SOURCE_DIR}/../VTK/Common/ExecutionModel/"
"${VTK_DIR}/Common/ExecutionModel/"
"${CMAKE_SOURCE_DIR}/../VTK/Utilities/KWIML/"
)
# move config.h into place. Unix and Windows have different header files
if (UNIX)
configure_file(${CMAKE_SOURCE_DIR}/src/config-nix.h ${CMAKE_CURRENT_BINARY_DIR}/deps/config.h COPYONLY)
elseif (WIN32)
configure_file(${CMAKE_SOURCE_DIR}/src/config-win.h ${CMAKE_CURRENT_BINARY_DIR}/deps/config.h COPYONLY)
endif()
# check for bison/flex and set up code gen
find_package(BISON)
find_package(FLEX)
BISON_TARGET(mdlParser ${CMAKE_SOURCE_DIR}/src/mdlparse.y
${CMAKE_CURRENT_BINARY_DIR}/deps/mdlparse.cpp)
BISON_TARGET(dynGeomParser ${CMAKE_SOURCE_DIR}/src/dyngeom_parse.y
${CMAKE_CURRENT_BINARY_DIR}/deps/dyngeom_yacc.cpp)
# the cmake flex plugin requires the flex file to be in the 'deps' directory
configure_file(${CMAKE_SOURCE_DIR}/src/mdllex.l ${CMAKE_CURRENT_BINARY_DIR}/deps/mdllex.l COPYONLY)
FLEX_TARGET(mdlScanner ${CMAKE_CURRENT_BINARY_DIR}/deps/mdllex.l
${CMAKE_CURRENT_BINARY_DIR}/deps/mdlex.cpp COMPILE_FLAGS -Cema)
ADD_FLEX_BISON_DEPENDENCY(mdlScanner mdlParser mdllex_l)
configure_file(${CMAKE_SOURCE_DIR}/src/dyngeom_lex.l ${CMAKE_CURRENT_BINARY_DIR}/deps/dyngeom_lex.l COPYONLY)
FLEX_TARGET(dynGeomScanner ${CMAKE_CURRENT_BINARY_DIR}/deps/dyngeom_lex.l
${CMAKE_CURRENT_BINARY_DIR}/deps/dyngeom_lex.cpp COMPILE_FLAGS -Cema)
ADD_FLEX_BISON_DEPENDENCY(dynGeomScanner dynGeomParser dyngeomlex_l)
# create version.h target
if (NOT WIN32)
add_custom_target(
version_h
COMMAND ${CMAKE_SOURCE_DIR}/src/version.sh > ${CMAKE_CURRENT_BINARY_DIR}/deps/version.h
DEPENDS ${CMAKE_SOURCE_DIR}/src/version.sh
VERBATIM)
elseif (WIN32)
add_custom_target(version_h)
add_custom_command(TARGET version_h COMMAND ${CMAKE_COMMAND} -E
copy ${CMAKE_SOURCE_DIR}/appveyor_windows/version.h ${CMAKE_CURRENT_BINARY_DIR}/deps )
endif()
# linking on centos7 with 7.3.1 fails with undefined reference to `casc::detail::asc_NodeBase::~asc_NodeBase()'
set(PYBIND11_LTO_CXX_FLAGS "")
if (WIN32)
# not compiling for now
# add_subdirectory(${CMAKE_SOURCE_DIR}/libs/libunistd ${CMAKE_CURRENT_BINARY_DIR}/libs/libunistd)
# include_directories(SYSTEM ${CMAKE_SOURCE_DIR}/libs/libunistd/unistd)
endif()
add_subdirectory(${CMAKE_SOURCE_DIR}/libs/pybind11 ${CMAKE_CURRENT_BINARY_DIR}/libs/pybind11)
add_subdirectory(${CMAKE_SOURCE_DIR}/../libbng/ ${CMAKE_CURRENT_BINARY_DIR}/libs/libbng)
add_subdirectory(${CMAKE_SOURCE_DIR}/../nfsim ${CMAKE_CURRENT_BINARY_DIR}/nfsim)
add_subdirectory(${CMAKE_SOURCE_DIR}/../nfsimCInterface ${CMAKE_CURRENT_BINARY_DIR}/nfsimCInterface)
add_subdirectory(${CMAKE_SOURCE_DIR}/libmcell ${CMAKE_CURRENT_BINARY_DIR}/libmcell)
add_subdirectory(${CMAKE_SOURCE_DIR}/src4 ${CMAKE_CURRENT_BINARY_DIR}/src4)
# set default locations of libraries and executables, must be done after add_subdirectory setups
set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/bin )
set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/lib )
set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/archives )
# Second, for multi-config builds (e.g. msvc)
foreach(OUTPUTCONFIG ${CMAKE_CONFIGURATION_TYPES} )
string(TOUPPER ${OUTPUTCONFIG} OUTPUTCONFIG )
set(CMAKE_RUNTIME_OUTPUT_DIRECTORY_${OUTPUTCONFIG} ${CMAKE_CURRENT_BINARY_DIR}/bin )
set(CMAKE_LIBRARY_OUTPUT_DIRECTORY_${OUTPUTCONFIG} ${CMAKE_CURRENT_BINARY_DIR}/lib )
set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY_${OUTPUTCONFIG} ${CMAKE_CURRENT_BINARY_DIR}/archives )
endforeach( OUTPUTCONFIG CMAKE_CONFIGURATION_TYPES )
set(SOURCE_FILES
src/argparse.c
src/chkpt.c
src/count_util.c
src/diffuse.c
src/diffuse_trimol.c
src/diffuse_util.c
src/dyngeom.c
src/dyngeom_parse_extras.c
src/grid_util.c
src/map_c.cpp
src/init.c
#src/isaac64.c
src/logging.c
src/mcell_dyngeom.c
src/mcell_init.c
src/mcell_misc.c
src/mcell_objects.c
src/mcell_react_out.c
src/mcell_reactions.c
src/mcell_release.c
src/mcell_run.c
src/mcell_species.c
src/mcell_surfclass.c
src/mcell_viz.c
src/mem_util.c
src/minrng.c
src/nfsim_func.c
src/react_cond.c
src/react_outc.c
src/react_outc_nfsim.c
src/react_outc_trimol.c
src/react_output.c
src/react_trig.c
src/react_trig_nfsim.c
src/react_util.c
src/react_util_nfsim.c
#src/rng.c
src/sched_util.c
src/strfunc.c
src/sym_table.c
src/test_api.c
src/triangle_overlap.c
src/util.c
src/vector.c
src/version_info.c
src/viz_output.c
src/vol_util.c
src/volume_output.c
src/wall_util.c
src/edge_util.c
src/bng_util.cpp
src/dump_state.cpp
src/c_vector.cpp
)
set(SOURCE_FILES_ONLY_MCELL
src/mcell.c
src/mdlparse_util.c
)
SET_SOURCE_FILES_PROPERTIES( ${SOURCE_FILES} PROPERTIES LANGUAGE CXX )
set( SOURCE_FILES ${SOURCE_FILES} src/mdlparse.y src/dyngeom_parse.y )
SET_SOURCE_FILES_PROPERTIES( ${SOURCE_FILES_ONLY_MCELL} PROPERTIES LANGUAGE CXX )
link_directories(${CMAKE_BINARY_DIR}/lib)
# may be empty
link_directories(${SYSTEM_PYTHON_LIB_DIR})
if (UNIX)
SET(CMAKE_INSTALL_RPATH "$ORIGIN/./lib")
SET(CMAKE_BUILD_WITH_INSTALL_RPATH TRUE)
endif()
INCLUDE_DIRECTORIES("${CMAKE_CURRENT_SOURCE_DIR}/src")
# copy tools for MDLr to MDL
SET(MCELL_RULES_DIR ${CMAKE_SOURCE_DIR}/src/rules_py)
configure_file(${MCELL_RULES_DIR}/grammar_definition.py ${CMAKE_CURRENT_BINARY_DIR}/grammar_definition.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/mcell3r.py ${CMAKE_CURRENT_BINARY_DIR}/mcell3r.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/mdlr2mdl.py ${CMAKE_CURRENT_BINARY_DIR}/mdlr2mdl.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/nfsim_python.py ${CMAKE_CURRENT_BINARY_DIR}/nfsim_python.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/postprocess_mcell3r.py ${CMAKE_CURRENT_BINARY_DIR}/postprocess_mcell3r.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/read_bngxml.py ${CMAKE_CURRENT_BINARY_DIR}/read_bngxml.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/read_mdl.py ${CMAKE_CURRENT_BINARY_DIR}/read_mdl.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/small_structures.py ${CMAKE_CURRENT_BINARY_DIR}/small_structures.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/split_bngxml.py ${CMAKE_CURRENT_BINARY_DIR}/split_bngxml.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/write_bngxmle.py ${CMAKE_CURRENT_BINARY_DIR}/write_bngxmle.py COPYONLY)
configure_file(${MCELL_RULES_DIR}/write_mdl.py ${CMAKE_CURRENT_BINARY_DIR}/write_mdl.py COPYONLY)
SET(MCELL_UTILS_DIR ${CMAKE_SOURCE_DIR}/utils)
SET(BUILD_UTILS_DIR ${CMAKE_CURRENT_BINARY_DIR}/utils)
configure_file(${CMAKE_SOURCE_DIR}/libmcell/generated/mcell.pyi ${BUILD_UTILS_DIR}/mcell.pyi COPYONLY)
# copy tools for MDLr to MDL
# TODO: list all files using configure_file
file(COPY ${CMAKE_SOURCE_DIR}/../bionetgen/bng2/ DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/bng2/)
pybind11_add_module(mcell4_so MODULE
# few files from mcell3 that are used
# TODO: get rid of all deps except for the random generator
src/logging.c
src/mem_util.c
src/strfunc.c
src/util.c
src/edge_util.c
src/sym_table.c
src/vector.c
src/dump_state.cpp
src/bng_util.cpp
libmcell/api/exports.cpp
)
# for some reason MSVC searches for python library when linking utils although they should not need it
get_filename_component(PYTHON_LIB_DIR ${Python3_LIBRARY_RELEASE} DIRECTORY)
link_directories(${PYTHON_LIB_DIR})
# build executable
add_executable(mcell
${SOURCE_FILES}
${SOURCE_FILES_ONLY_MCELL}
${BISON_mdlParser_OUTPUTS}
${BISON_dynGeomParser_OUTPUTS}
${FLEX_mdlScanner_OUTPUTS}
${FLEX_dynGeomScanner_OUTPUTS})
# mcell must be for backwards compatibility located in the root directory
set_target_properties(mcell PROPERTIES
RUNTIME_OUTPUT_DIRECTORY_DEBUG "${CMAKE_BINARY_DIR}"
RUNTIME_OUTPUT_DIRECTORY_RELEASE "${CMAKE_BINARY_DIR}"
RUNTIME_OUTPUT_DIRECTORY_RELWITHDEBINFO "${CMAKE_BINARY_DIR}"
RUNTIME_OUTPUT_DIRECTORY_MINSIZEREL "${CMAKE_BINARY_DIR}"
)
if (NOT WIN32 AND NOT APPLE)
set(STDC_FS stdc++fs)
endif()
TARGET_COMPILE_DEFINITIONS(mcell PRIVATE NOSWIG=1)
add_dependencies(mcell version_h mcell4)
target_link_libraries(mcell
mcell4 libmcell_dummy libbng nfsim_c_static NFsim_static jsoncpp_lib nauty ${VTK_LIBRARIES}
)
add_subdirectory(${CMAKE_SOURCE_DIR}/utils/data_model_to_pymcell)
add_subdirectory(${CMAKE_SOURCE_DIR}/utils/)
add_dependencies(mcell4_so libmcell mcell4 libbng jsoncpp_lib)
target_link_libraries(mcell4_so
PUBLIC libmcell
PRIVATE mcell4 libbng jsoncpp_lib nauty ${VTK_LIBRARIES} ${GPERFTOOLS_LIB} ${GPERFTOOLS_MCELLSO_DEP} ${STDC_FS}
PUBLIC libmcell # linking dependency issue, we must include limbcell once again to the list of libraries
)
set_property(TARGET mcell4_so PROPERTY POSITION_INDEPENDENT_CODE ON)
set_target_properties(mcell4_so PROPERTIES PREFIX "")
set_target_properties(mcell4_so PROPERTIES OUTPUT_NAME "mcell")
if (WIN32)
set_target_properties(mcell4_so PROPERTIES SUFFIX ".pyd")
else()
set_target_properties(mcell4_so PROPERTIES SUFFIX ".so") # must be .so on MacOS as well
endif()