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Merged in refactoring (pull request #1)
Refactoring Approved-by: xin cao Approved-by: Andrey Alekseenko
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,18 +1,120 @@ | ||
| cmake_minimum_required(VERSION 3.5) | ||
| project(energymin LANGUAGES C) | ||
| set(energymin_version_major 0) | ||
| set(energymin_version_minor 0) | ||
| set(energymin_version "${energymin_version_major}.${energymin_version_minor}") | ||
| cmake_minimum_required(VERSION 3.9) | ||
|
|
||
| if(${CMAKE_VERSION} VERSION_LESS 3.12) | ||
| cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}) | ||
| endif() | ||
|
|
||
| cmake_policy(SET CMP0069 NEW) | ||
|
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| project(NRGmin VERSION 1.0 | ||
| DESCRIPTION "Energy minimization utility" | ||
| LANGUAGES C) | ||
|
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||
| set(CMAKE_C_STANDARD 11) | ||
| set(CMAKE_C_STANDARD_REQUIRED ON) | ||
| set(CMAKE_C_EXTENSIONS OFF) | ||
|
|
||
| option(BUILD_TESTS "Build tests" ON) | ||
| option(USE_LTO "Link Time Optimization" ON) | ||
| option(USE_SANITIZER "Build with address sanitizer" OFF) | ||
| option(OPENMP "Add OPENMP executable" OFF) | ||
| option(NOE "Build with NOE feature" ON) | ||
|
|
||
| set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") | ||
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||
| set(CMAKE_C_FLAGS "-std=c11 -fPIC ${CMAKE_C_FLAGS}") | ||
| set(CMAKE_C_FLAGS_DEBUG "-Wall ${CMAKE_C_FLAGS_DEBUG}") | ||
| set(CMAKE_C_FLAGS_RELEASE "${CMAKE_C_FLAGS_RELEASE}") | ||
| if (UNIX AND CMAKE_BUILD_TYPE STREQUAL "Debug") | ||
| add_compile_options(-pg -Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) | ||
| endif() | ||
|
|
||
| if (USE_SANITIZER) | ||
| set(SANITIZER_FLAGS "-fno-omit-frame-pointer -fsanitize=address,undefined") | ||
| add_compile_options(${SANITIZER_FLAGS}) | ||
| add_link_options(${SANITIZER_FLAGS}) | ||
| endif() | ||
|
|
||
| if (NOE) | ||
| add_definitions(-D NOE) | ||
| endif() | ||
|
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||
| find_package(Jansson REQUIRED) | ||
|
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||
| find_package(mol2 REQUIRED) | ||
|
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||
| set(LIBRARY_LIST | ||
| "${MOL2_LIBRARIES}" | ||
| "${JANSSON_LIBRARIES}" | ||
| m) | ||
|
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||
| set(INCLUDE_LIST | ||
| "${MOL2_INCLUDE_DIRS}" | ||
| "${JANSSON_INCLUDE_DIRS}") | ||
|
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||
| # Read help text from the file and plug it in parse_options.c.in | ||
| file(STRINGS ${PROJECT_SOURCE_DIR}/src/usage.txt USAGE_LINES) | ||
| # Join lines using "\" character. Can't use string(JOIN ..) here, | ||
| # because it exists only in the newer versions of cmake | ||
| set(USAGE_TEXT "") | ||
| list(LENGTH USAGE_LINES USAGE_N_LINES) | ||
| math(EXPR USAGE_LAST_LINE "${USAGE_N_LINES} - 1") | ||
| foreach(LINE_ID RANGE ${USAGE_LAST_LINE}) | ||
| list(GET USAGE_LINES ${LINE_ID} LINE) | ||
| set(USAGE_TEXT "${USAGE_TEXT}\\n${LINE}") | ||
| endforeach() | ||
| configure_file ( | ||
| "${PROJECT_SOURCE_DIR}/src/parse_options.c.in" | ||
| "${PROJECT_BINARY_DIR}/parse_options.c" | ||
| ) | ||
|
|
||
| set(SRC_LIST | ||
| ${PROJECT_SOURCE_DIR}/src/setup.c | ||
| ${PROJECT_SOURCE_DIR}/src/utils.c | ||
| ${PROJECT_SOURCE_DIR}/src/energy.c | ||
| ${PROJECT_BINARY_DIR}/parse_options.c) | ||
|
|
||
| add_executable(nrgmin ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) | ||
|
|
||
| if (USE_LTO) | ||
| include(CheckIPOSupported) | ||
| check_ipo_supported(RESULT result) | ||
| if(NOT result) | ||
| set(USE_LTO OFF) | ||
| endif() | ||
| endif() | ||
|
|
||
| if (USE_LTO) | ||
| set_target_properties(nrgmin PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) | ||
| endif() | ||
|
|
||
| target_include_directories(nrgmin | ||
| PUBLIC | ||
| "$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/src>" | ||
| "$<INSTALL_INTERFACE:${INCLUDE_INSTALL_DIR}>" | ||
| PRIVATE ${INCLUDE_LIST}) | ||
|
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||
| target_link_libraries(nrgmin ${LIBRARY_LIST}) | ||
|
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||
| if (OPENMP) | ||
| find_package(OpenMP REQUIRED) | ||
|
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||
| add_executable(nrgmin.omp ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) | ||
|
|
||
| if (USE_LTO) | ||
| set_target_properties(nrgmin.omp PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) | ||
| endif() | ||
|
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||
| target_include_directories(nrgmin.omp | ||
| PUBLIC | ||
| "$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/src>" | ||
| "$<INSTALL_INTERFACE:${INCLUDE_INSTALL_DIR}>" | ||
| PRIVATE ${INCLUDE_LIST}) | ||
|
|
||
| include_directories($ENV{HOME}/include) | ||
| link_directories($ENV{HOME}/lib) | ||
| target_link_libraries(nrgmin.omp ${LIBRARY_LIST} OpenMP::OpenMP_C) | ||
|
|
||
| find_package(GSL REQUIRED) | ||
| target_compile_definitions(nrgmin.omp PUBLIC OPENMP) | ||
| endif() | ||
|
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||
| add_executable(minimize minimize.c) | ||
| target_link_libraries(minimize mol2 nmrgrad ${GSL_LIBRARIES} jansson m) | ||
| if (BUILD_TESTS) | ||
| find_package(Check REQUIRED) | ||
| enable_testing() | ||
| add_subdirectory("test") | ||
| endif() |
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