Merge branch 'master' into feature-cnt (cf5c748f) · Commits · 郑智淋 / lammps

.github/CODEOWNERS

+3 −0

Original line number	Diff line number	Diff line
		@@ -117,6 +117,9 @@ tools/msi2lmp/* @akohlmey
		tools/emacs/* @HaoZeke
		tools/singularity/* @akohlmey @rbberger

		# tests
		unittest/* @akohlmey @rbberger

		# cmake
		cmake/* @junghans @rbberger
		cmake/Modules/Packages/USER-COLVARS.cmake @junghans @rbberger @giacomofiorin

cmake/CMakeLists.txt

+13 −4

Original line number	Diff line number	Diff line
		@@ -3,6 +3,11 @@
		# This file is part of LAMMPS
		# Created by Christoph Junghans and Richard Berger
		cmake_minimum_required(VERSION 3.10)
		# set policy to silence warnings about ignoring <PackageName>_ROOT but use it
		if(POLICY CMP0074)
		cmake_policy(SET CMP0074 NEW)
		endif()
		########################################

		project(lammps CXX)
		set(SOVERSION 0)
		@@ -27,6 +32,12 @@ endif()
		# Cmake modules/macros are in a subdirectory to keep this file cleaner
		set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/Modules)

		# make sure LIBRARY_PATH is set if environment variable is set
		if (DEFINED ENV{LIBRARY_PATH})
		list(APPEND CMAKE_LIBRARY_PATH "$ENV{LIBRARY_PATH}")
		message(STATUS "Appending $ENV{LIBRARY_PATH} to CMAKE_LIBRARY_PATH: ${CMAKE_LIBRARY_PATH}")
		endif()

		include(LAMMPSUtils)

		get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h PROJECT_VERSION)
		@@ -60,11 +71,11 @@ if(${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
		endif()

		if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
		set(CMAKE_TUNE_DEFAULT "-ffast-math -march=native")
		set(CMAKE_TUNE_DEFAULT "-march=native")
		endif()

		if(${CMAKE_CXX_COMPILER_ID} STREQUAL "Clang")
		set(CMAKE_TUNE_DEFAULT "-ffast-math -march=native")
		set(CMAKE_TUNE_DEFAULT "-march=native")
		endif()

		# we require C++11 without extensions
		@@ -547,8 +558,6 @@ if(BUILD_SHARED_LIBS)
		configure_file(pkgconfig/liblammps.pc.in ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_MACHINE}.pc @ONLY)
		install(FILES ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_MACHINE}.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
		install(EXPORT LAMMPS_Targets FILE LAMMPS_Targets.cmake NAMESPACE LAMMPS:: DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/LAMMPS)
		file(GLOB MODULE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/Modules/Find*.cmake)
		install(FILES ${MODULE_FILES} DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/LAMMPS)
		include(CMakePackageConfigHelpers)
		configure_file(LAMMPSConfig.cmake.in ${CMAKE_CURRENT_BINARY_DIR}/LAMMPSConfig.cmake @ONLY)
		write_basic_package_version_file("LAMMPSConfigVersion.cmake" VERSION ${PROJECT_VERSION} COMPATIBILITY ExactVersion)

cmake/LAMMPSConfig.cmake.in

+0 −6

Original line number	Diff line number	Diff line
		list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_LIST_DIR})
		include(CMakeFindDependencyMacro)
		if(@BUILD_MPI@)
		find_dependency(MPI REQUIRED CXX)
		endif()
		if(@PKG_KSPACE@)
		if(@FFT@ STREQUAL "FFTW3")
		find_dependency(@FFTW@ REQUIRED MODULE)
		endif()
		endif()
		include("${CMAKE_CURRENT_LIST_DIR}/LAMMPS_Targets.cmake")

cmake/Modules/CodeCoverage.cmake

+24 −3

Original line number	Diff line number	Diff line
		@@ -15,14 +15,35 @@ if(ENABLE_COVERAGE)
		gen_coverage_xml
		COMMAND ${GCOVR_BINARY} -s -x -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.xml
		WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
		COMMENT "Generating XML Coverage Report..."
		COMMENT "Generating XML coverage report..."
		)

		set(COVERAGE_HTML_DIR ${CMAKE_BINARY_DIR}/coverage_html)

		add_custom_target(coverage_html_folder
		COMMAND ${CMAKE_COMMAND} -E make_directory ${COVERAGE_HTML_DIR})

		add_custom_target(
		gen_coverage_html
		COMMAND ${GCOVR_BINARY} -s --html --html-details -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.html
		COMMAND ${GCOVR_BINARY} -s --html --html-details -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o ${COVERAGE_HTML_DIR}/index.html
		WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
		COMMENT "Generating HTML Coverage Report..."
		COMMENT "Generating HTML coverage report..."
		)
		add_dependencies(gen_coverage_html coverage_html_folder)

		add_custom_target(clean_coverage_html
		${CMAKE_COMMAND} -E remove_directory ${COVERAGE_HTML_DIR}
		COMMENT "Deleting HTML coverage report..."
		)

		add_custom_target(reset_coverage
		${CMAKE_COMMAND} -E remove -f /.gcda //.gcda ///*.gcda
		////.gcda /////.gcda //////.gcda
		///////.gcda ////////*.gcda
		/////////.gcda //////////*.gcda
		WORKIND_DIRECTORY ${CMAKE_BINARY_DIR}
		COMMENT "Deleting coverage data files..."
		)
		add_dependencies(reset_coverage clean_coverage_html)
		endif()
		endif()

cmake/Modules/FindTBB_MALLOC.cmake

+0 −1

Original line number	Diff line number	Diff line
		@@ -6,7 +6,6 @@
		# TBB_MALLOC_FOUND - True if tbb found.
		#


		########################################################
		# TBB Malloc

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