Merge branch 'master' into adaptglok (489b7eb2) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+4 −3

Original line number	Diff line number	Diff line
		@@ -53,14 +53,14 @@ include(CheckCCompilerFlag)
		include(CheckIncludeFileCXX)

		if(${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict -std=c++11")
		endif()

		option(DISABLE_CXX11_REQUIREMENT "Disable check that requires C++11 for compiling LAMMPS" OFF)
		if(DISABLE_CXX11_REQUIREMENT)
		add_definitions(-DLAMMPS_CXX98)
		else()
		set(CMAKE_CXX_STANDARD 11)
		# else()
		# set(CMAKE_CXX_STANDARD 11)
		endif()

		# GNU compiler features
		@@ -248,6 +248,7 @@ if(BUILD_OMP)
		endif()

		if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
		enable_language(C)
		find_package(LAPACK)
		find_package(BLAS)
		if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)

+3 −20

Original line number	Diff line number	Diff line
		@@ -9,9 +9,7 @@ if(BUILD_DOC)

		set(VIRTUALENV ${PYTHON_EXECUTABLE} -m virtualenv)

		file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.txt)
		file(GLOB PDF_EXTRA_SOURCES ${LAMMPS_DOC_DIR}/src/lammps_commands*.txt ${LAMMPS_DOC_DIR}/src/lammps_support.txt ${LAMMPS_DOC_DIR}/src/lammps_tutorials.txt)
		list(REMOVE_ITEM DOC_SOURCES ${PDF_EXTRA_SOURCES})
		file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.rst)

		add_custom_command(
		OUTPUT docenv
		@@ -28,25 +26,10 @@ if(BUILD_DOC)
		COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters
		)

		set(RST_FILES "")
		set(RST_DIR ${CMAKE_BINARY_DIR}/rst)
		file(MAKE_DIRECTORY ${RST_DIR})
		foreach(TXT_FILE ${DOC_SOURCES})
		get_filename_component(FILENAME ${TXT_FILE} NAME_WE)
		set(RST_FILE ${RST_DIR}/${FILENAME}.rst)
		list(APPEND RST_FILES ${RST_FILE})
		add_custom_command(
		OUTPUT ${RST_FILE}
		DEPENDS requirements.txt docenv ${TXT_FILE}
		COMMAND ${DOCENV_BINARY_DIR}/txt2rst -o ${RST_DIR} ${TXT_FILE}
		)
		endforeach()

		add_custom_command(
		OUTPUT html
		DEPENDS ${RST_FILES}
		COMMAND ${CMAKE_COMMAND} -E copy_directory ${LAMMPS_DOC_DIR}/src ${RST_DIR}
		COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${RST_DIR} html
		DEPENDS ${DOC_SOURCES} docenv requirements.txt
		COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${LAMMPS_DOC_DIR}/src html
		)

		add_custom_target(

+3 −0

Original line number	Diff line number	Diff line
		if(PKG_MESSAGE)
		if(LAMMPS_SIZES STREQUAL BIGBIG)
		message(FATAL_ERROR "The MESSAGE Package is not compatible with -DLAMMPS_BIGBIG")
		endif()
		option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF)
		file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F
		${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c

+4 −0

Original line number	Diff line number	Diff line
		if(PKG_USER-MOLFILE)
		if (CMAKE_VERSION VERSION_LESS "3.10") # due to INTERFACE without a library
		message(FATAL_ERROR "For configuring USER-MOLFILE you need CMake 3.10 or later")
		endif()

		set(MOLFILE_INCLUDE_DIRS "${LAMMPS_LIB_SOURCE_DIR}/molfile" CACHE STRING "Path to VMD molfile plugin headers")
		add_library(molfile INTERFACE)
		target_include_directories(molfile INTERFACE ${MOLFILE_INCLUDE_DIRS})

+2 −2

Original line number	Diff line number	Diff line
		@@ -49,8 +49,8 @@ if(PKG_USER-PLUMED)
		message(STATUS "PLUMED download requested - we will build our own")
		include(ExternalProject)
		ExternalProject_Add(plumed_build
		URL https://github.com/plumed/plumed2/releases/download/v2.5.2/plumed-src-2.5.2.tgz
		URL_MD5 bd2f18346c788eb54e1e52f4f6acf41a
		URL https://github.com/plumed/plumed2/releases/download/v2.5.3/plumed-src-2.5.3.tgz
		URL_MD5 de30d6e7c2dcc0973298e24a6da24286
		BUILD_IN_SOURCE 1
		CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
		${CONFIGURE_REQUEST_PIC}