Initial commit

.gitignore

+# General for mac
+.DS_Store
+.AppleDouble
+.LSOverride
+
+# Created by .ignore support plugin (hsz.mobi)
+### JetBrains template
+# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio and WebStorm
+# Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839
+
+# User-specific stuff
+.idea/
+
+# Sensitive or high-churn files
+.idea/**/dataSources/
+.idea/**/dataSources.ids
+.idea/**/dataSources.local.xml
+.idea/**/sqlDataSources.xml
+.idea/**/dynamic.xml
+.idea/**/uiDesigner.xml
+.idea/**/dbnavigator.xml
+
+# Gradle
+.idea/**/gradle.xml
+.idea/**/libraries
+
+# CMake
+cmake-build-debug/
+cmake-build-release/
+
+# Mongo Explorer plugin
+.idea/**/mongoSettings.xml
+
+# File-based project format
+*.iws
+
+# IntelliJ
+out/
+
+# mpeltonen/sbt-idea plugin
+.idea_modules/
+
+# JIRA plugin
+atlassian-ide-plugin.xml
+
+# Cursive Clojure plugin
+.idea/replstate.xml
+
+# Crashlytics plugin (for Android Studio and IntelliJ)
+com_crashlytics_export_strings.xml
+crashlytics.properties
+crashlytics-build.properties
+fabric.properties
+
+# Editor-based Rest Client
+.idea/httpRequests
+### CMake template
+CMakeCache.txt
+CMakeFiles
+CMakeScripts
+Testing
+Makefile
+cmake_install.cmake
+install_manifest.txt
+compile_commands.json
+CTestTestfile.cmake
+### C template
+# Prerequisites
+*.d
+
+# Object files
+*.o
+*.ko
+*.obj
+*.elf
+
+# Linker output
+*.ilk
+*.map
+*.exp
+
+# Precompiled Headers
+*.gch
+*.pch
+
+# Libraries
+*.lib
+*.a
+*.la
+*.lo
+
+# Shared objects (inc. Windows DLLs)
+*.dll
+*.so
+*.so.*
+*.dylib
+
+# Executables
+*.exe
+*.out
+*.app
+*.i*86
+*.x86_64
+*.hex
+
+# Debug files
+*.dSYM/
+*.su
+*.idb
+*.pdb
+
+# Kernel Module Compile Results
+*.mod*
+*.cmd
+.tmp_versions/
+modules.order
+Module.symvers
+Mkfile.old
+dkms.conf
+### C++ template
+# Prerequisites
+
+# Compiled Object files
+*.slo
+
+# Precompiled Headers
+
+# Compiled Dynamic libraries
+
+# Fortran module files
+*.mod
+*.smod
+
+# Compiled Static libraries
+*.lai
+
+# Executables

CMakeLists.txt

+cmake_minimum_required(VERSION 3.0)
+
+project(misa-kmc)
+
+set(CMAKE_CXX_STANDARD 11)
+
+include(config.cmake)
+include(dependency.cmake)
+
+add_subdirectory(src)
+
+#if (KMC_TOOLS_BUILD_ENABLE_FLAG)
+#    add_subdirectory(tools)
+#endif ()
+################################
+## test configure
+################################
+if (KMC_TEST_BUILD_ENABLE_FLAG)
+    MESSAGE(STATUS "TEST is enabled")
+    add_subdirectory(tests)
+endif ()

config.cmake

+set(PNOHS_VERSION "0.1.0")
+
+option(KMC_OpenMP_ENABLE_FLAG "Use OpenMP" OFF) #change this flag to OFF to disable OpenMP
+option(KMC_MPI_ENABLE_FLAG "Use MPI library" OFF) #change this flag to false to disable mpi
+option(KMC_TEST_BUILD_ENABLE_FLAG "Enable test" ON) # enable test
+option(KMC_TEST_MPI_ENABLE_FLAG "Enable MPI in test" ON) # enable mpi in test, its value depends on option MPI_ENABLE_FLAG.
+option(KMC_TOOLS_BUILD_ENABLE_FLAG "Enable tools building" ON) # building tools directory.
+option(KMC_DEBUG_ENABLE_FLAG "Enable tools building" ON) # enable debug mode building.
+
+if (PNOHS_DEBUG_ENABLE_FLAG)
+    set(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -Wall")
+endif ()
+
+## architecture ralated values.
+# option(ARCH_SW "Enable sunway athread" OFF) # enable sunway athread if its running on sunway system.
+
+#############
+## const ##
+#############
+set(KMC_LIB_NAME kmc)
+set(KMC_EXECUTE_BIN_NAME ${PROJECT_NAME})
+
+# test
+set(KMC_UINT_TEST_NAME "misa-kmc-unit-tests")
\ No newline at end of file

dependency.cmake

+################################
+# MPI and OpenMP
+################################
+if (KMC_OpenMP_ENABLE_FLAG)
+    find_package(OpenMP REQUIRED)
+
+    if (OPENMP_FOUND)
+        set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
+        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
+        set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${OpenMP_EXE_LINKER_FLAGS}")
+    endif ()
+endif ()
+
+if (KMC_MPI_ENABLE_FLAG)
+    find_package(MPI REQUIRED)
+    MESSAGE(STATUS "MPI_INCLUDE dir:" ${MPI_INCLUDE_PATH})
+    MESSAGE(STATUS "MPI_LIBRARIES dir:" ${MPI_LIBRARIES})
+
+    if (MPI_CXX_COMPILE_FLAGS)
+        set(COMPILE_FLAGS "${COMPILE_FLAGS} ${MPI_CXX_COMPILE_FLAGS}")
+    endif ()
+
+    if (MPI_CXX_LINK_FLAGS)
+        set(LINK_FLAGS "${LINK_FLAGS} ${MPI_CXX_LINK_FLAGS}")
+    endif ()
+
+    include_directories(${MPI_CXX_INCLUDE_PATH})
+
+    set(KMC_EXTRA_LIBS ${KMC_EXTRA_LIBS} ${MPI_CXX_LIBRARIES}) #add mpi lib
+endif ()
+##### mpi and openmp end
+
+
+#include(pkg.dep.cmake)
+#set(KMC_VENDOR_PATH ${VENDOR_PATH})
+#set(KMC_VENDOR_SRC_PATH ${KMC_VENDOR_PATH}/src)
+#set(KMC_VENDOR_INCLUDE_PATH ${KMC_VENDOR_PATH}/include)
+#set(KMC_VENDOR_PKG_PATH ${KMC_VENDOR_PATH}/pkg)
+
+################################
+###### kiwi framework globally
+################################
+set(KMC_EXTRA_LIBS fmt kiwi ${KMC_EXTRA_LIBS})

src/.gitignore

+building_config.h
\ No newline at end of file

src/CMakeLists.txt

+include(configure.cmake)
+set(HEADER_FILES
+        atom.h
+        type_define.h
+        )
+
+
+set(SOURCE_FILES
+        atom.cpp
+        )
+
+
+# set binary path and lib storage path for compiling process.
+set(EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}/bin)
+set(LIBRARY_OUTPUT_PATH ${PROJECT_BINARY_DIR}/lib)
+
+# make lib.
+add_library(${KMC_LIB_NAME} STATIC ${HEADER_FILES} ${SOURCE_FILES})
+
+target_include_directories(
+        ${KMC_LIB_NAME}
+        PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}
+)
+
+# make binary
+add_executable(${KMC_EXECUTE_BIN_NAME} main.cpp )
+
+target_link_libraries(${KMC_EXECUTE_BIN_NAME} PRIVATE ${KMC_LIB_NAME} ${EXTRA_LIBS})
+
+
+##########################
+##### install files
+##########################
+# install bin and libs.
+install(TARGETS ${KMC_LIB_NAME}
+        RUNTIME DESTINATION bin
+        LIBRARY DESTINATION lib
+        ARCHIVE DESTINATION lib
+        )
+
+# install header.
+install(DIRECTORY "./"
+        DESTINATION "include"
+        FILES_MATCHING
+        PATTERN "*.h"
+        PATTERN "*.hpp"
+        )
\ No newline at end of file

src/atom.cpp

+//
+// Created by genshen on 2018/11/7.
+//
+

src/atom.h

+//
+// Created by genshen on 2018/11/7.
+//
+
+#ifndef MISA_KMC_ATOM_H
+#define MISA_KMC_ATOM_H
+
+class AtomTypes {
+public:
+    int a;
+};
+
+#endif //MISA_KMC_ATOM_H

src/configure.cmake

+## generate configure file
+configure_file(
+        "${CMAKE_CURRENT_SOURCE_DIR}/building_config.in"
+        "${CMAKE_CURRENT_SOURCE_DIR}/building_config.h"
+)

src/main.cpp

+//
+// Created by genshen on 2018/11/7.
+//
+
+int main() {
+
+    return 0;
+}

src/type_define.h

+//
+// Created by genshen on 2018/11/9.
+//
+
+#ifndef MISA_KMC_TYPE_DEFINE_H
+#define MISA_KMC_TYPE_DEFINE_H
+
+/**
+ * the type of atom lattice position in cartesian coordinate system
+ */
+typedef unsigned long _type_atom_pos;
+
+
+#endif //MISA_KMC_TYPE_DEFINE_H