Merge pull request #47 from lammps/master (80431612) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+266 −122

File changed.

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cmake/Modules/FindKIM-API-V2.cmake→cmake/Modules/FindKIM-API.cmake

+21 −12

Original line number	Diff line number	Diff line
		@@ -19,7 +19,7 @@
		#

		#
		# Copyright (c) 2013--2018, Regents of the University of Minnesota.
		# Copyright (c) 2013--2019, Regents of the University of Minnesota.
		# All rights reserved.
		#
		# Contributors:
		@@ -28,23 +28,32 @@
		# Ryan S. Elliott
		#

		# - Find KIM-API-V2
		# - Find KIM-API
		#
		# sets standard pkg_check_modules variables plus:
		#
		# KIM-API-V2-CMAKE_C_COMPILER
		# KIM-API-V2-CMAKE_CXX_COMPILER
		# KIM-API-V2-CMAKE_Fortran_COMPILER
		# KIM-API-CMAKE_C_COMPILER
		# KIM-API-CMAKE_CXX_COMPILER
		# KIM-API-CMAKE_Fortran_COMPILER
		#
		find_package(PkgConfig REQUIRED)

		if(KIM-API_FIND_QUIETLY)
		set(REQ_OR_QUI "QUIET")
		else()
		set(REQ_OR_QUI "REQUIRED")
		endif()

		find_package(PkgConfig ${REQ_OR_QUI})
		include(FindPackageHandleStandardArgs)

		pkg_check_modules(KIM-API-V2 REQUIRED libkim-api-v2>=2.0)
		pkg_check_modules(KIM-API ${REQ_OR_QUI} libkim-api>=2.0)

		pkg_get_variable(KIM-API-V2-CMAKE_C_COMPILER libkim-api-v2 CMAKE_C_COMPILER)
		pkg_get_variable(KIM-API-V2-CMAKE_CXX_COMPILER libkim-api-v2 CMAKE_CXX_COMPILER)
		pkg_get_variable(KIM-API-V2_CMAKE_Fortran_COMPILER libkim-api-v2 CMAKE_Fortran_COMPILER)
		if(KIM-API_FOUND)
		pkg_get_variable(KIM-API-CMAKE_C_COMPILER libkim-api CMAKE_C_COMPILER)
		pkg_get_variable(KIM-API-CMAKE_CXX_COMPILER libkim-api CMAKE_CXX_COMPILER)
		pkg_get_variable(KIM-API_CMAKE_Fortran_COMPILER libkim-api CMAKE_Fortran_COMPILER)
		endif()

		# handle the QUIETLY and REQUIRED arguments and set KIM-API-V2_FOUND to TRUE
		# handle the QUIETLY and REQUIRED arguments and set KIM-API_FOUND to TRUE
		# if all listed variables are TRUE
		find_package_handle_standard_args(KIM-API-V2 REQUIRED_VARS KIM-API-V2_LIBRARIES)
		find_package_handle_standard_args(KIM-API REQUIRED_VARS KIM-API_LIBRARIES)

cmake/Modules/StyleHeaderUtils.cmake

+4 −0

Original line number	Diff line number	Diff line
		@@ -91,6 +91,10 @@ function(RegisterFixStyle path)
		AddStyleHeader(${path} FIX)
		endfunction(RegisterFixStyle)

		function(RegisterIntegrateStyle path)
		AddStyleHeader(${path} INTEGRATE)
		endfunction(RegisterIntegrateStyle)

		function(RegisterStyles search_path)
		FindStyleHeaders(${search_path} ANGLE_CLASS angle_ ANGLE ) # angle ) # force
		FindStyleHeaders(${search_path} ATOM_CLASS atom_vec_ ATOM_VEC ) # atom ) # atom atom_vec_hybrid

cmake/Modules/generate_lmpgitversion.cmake

0 → 100644

+30 −0

Original line number	Diff line number	Diff line
		set(temp "#ifndef LMP_GIT_VERSION_H\n#define LMP_GIT_VERSION_H\n")
		set(temp_git_commit "(unknown)")
		set(temp_git_branch "(unknown)")
		set(temp_git_describe "(unknown)")
		set(temp_git_info "false")
		if(GIT_FOUND AND EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/../.git)
		set(temp_git_info "true")
		execute_process(COMMAND ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/.. rev-parse HEAD
		OUTPUT_VARIABLE temp_git_commit
		ERROR_QUIET
		OUTPUT_STRIP_TRAILING_WHITESPACE)
		execute_process(COMMAND ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/.. rev-parse --abbrev-ref HEAD
		OUTPUT_VARIABLE temp_git_branch
		ERROR_QUIET
		OUTPUT_STRIP_TRAILING_WHITESPACE)
		execute_process(COMMAND ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/.. describe --dirty=-modified
		OUTPUT_VARIABLE temp_git_describe
		ERROR_QUIET
		OUTPUT_STRIP_TRAILING_WHITESPACE)
		endif()

		set(temp "${temp}const bool LAMMPS_NS::LAMMPS::has_git_info = ${temp_git_info};\n")
		set(temp "${temp}const char LAMMPS_NS::LAMMPS::git_commit[] = \"${temp_git_commit}\";\n")
		set(temp "${temp}const char LAMMPS_NS::LAMMPS::git_branch[] = \"${temp_git_branch}\";\n")
		set(temp "${temp}const char LAMMPS_NS::LAMMPS::git_descriptor[] = \"${temp_git_describe}\";\n")
		set(temp "${temp}#endif\n\n")

		message(STATUS "Generating lmpgitversion.h...")
		file(WRITE "${LAMMPS_STYLE_HEADERS_DIR}/lmpgitversion.h.tmp" "${temp}" )
		execute_process(COMMAND ${CMAKE_COMMAND} -E copy_if_different "${LAMMPS_STYLE_HEADERS_DIR}/lmpgitversion.h.tmp" "${LAMMPS_STYLE_HEADERS_DIR}/lmpgitversion.h")

cmake/README.md

+27 −4

Original line number	Diff line number	Diff line
		@@ -155,11 +155,13 @@ make

		The CMake build exposes a lot of different options. In the old build system
		some of the package selections were possible by using special make target like
		`make yes-std` or `make no-lib`. Achieving the same result with cmake requires
		`make yes-std` or `make no-lib`. Achieving a similar result with cmake requires
		specifying all options manually. This can quickly become a very long command
		line that is hard to handle. While these could be stored in a simple script
		file, there is another way of defining "presets" to compile LAMMPS in a certain
		way.
		way. Since the cmake build process - contrary to the conventional build system -
		includes the compilation of the bundled libraries into the standard build process,
		the grouping of those presets is somewhat different.

		A preset is a regular CMake script file that can use constructs such as
		variables, lists and for-loops to manipulate configuration options and create
		@@ -171,10 +173,10 @@ Such a file can then be passed to cmake via the `-C` flag. Several examples of
		presets can be found in the `cmake/presets` folder.

		```bash
		# build LAMMPS with all "standard" packages which don't use libraries and enable GPU package
		# build LAMMPS with all packages enabled which don't use external libraries and enable GPU package
		mkdir build
		cd build
		cmake -C ../cmake/presets/std_nolib.cmake -D PKG_GPU=on ../cmake
		cmake -C ../cmake/presets/all_on.cmake -C ../cmake/presets/nolib.cmake -D PKG_GPU=on ../cmake
		```

		# Reference
		@@ -1429,6 +1431,17 @@ TODO
		</dl>
		</td>
		</tr>
		<tr>
		<td><code>INTEL_LRT_MODE</code></td>
		<td>How to support Long-range thread mode in Verlet integration</td>
		<td>
		<dl>
		<dt><code>threads</code> (default, if pthreads available)</dt>
		<dt><code>none</code> (default, if pthreads not available)</dt>
		<dt><code>c++11</code></dt>
		</dl>
		</td>
		</tr>
		</tbody>
		</table>

		@@ -1503,6 +1516,16 @@ target API.
		</dl>
		</td>
		</tr>
		<tr>
		<td><code>CUDA_MPS_SUPPORT</code> (CUDA only)</td>
		<td>Enable tweaks for running with Nvidia CUDA Multi-process services daemon</td>
		<td>
		<dl>
		<dt><code>on</code></dt>
		<dt><code>off</code> (default)</dt>
		</dl>
		</td>
		</tr>
		<tr>
		<td><code>BIN2C</code> (CUDA only)</td>
		<td>Path to bin2c executable, will automatically pick up the first one in your $PATH.</td>

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