Merge pull request #1019 from rbberger/cmake_updates (a8e2a0a5) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+75 −0

Original line number	Diff line number	Diff line
		@@ -9,6 +9,7 @@ set(SOVERSION 0)
		get_filename_component(LAMMPS_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../src ABSOLUTE)
		get_filename_component(LAMMPS_LIB_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../lib ABSOLUTE)
		get_filename_component(LAMMPS_LIB_BINARY_DIR ${CMAKE_BINARY_DIR}/lib ABSOLUTE)
		get_filename_component(LAMMPS_DOC_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../doc ABSOLUTE)


		# To avoid conflicts with the conventional Makefile build system, we build everything here
		@@ -900,6 +901,80 @@ if(BUILD_EXE)
		endif()
		endif()

		###############################################################################
		# Build documentation
		###############################################################################
		option(BUILD_DOC "Build LAMMPS documentation" OFF)
		if(BUILD_DOC)
		include(ProcessorCount)
		ProcessorCount(NPROCS)
		find_package(PythonInterp 3 REQUIRED)

		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})

		add_custom_command(
		OUTPUT docenv
		COMMAND ${VIRTUALENV} docenv
		)

		set(DOCENV_BINARY_DIR ${CMAKE_BINARY_DIR}/docenv/bin)

		add_custom_command(
		OUTPUT requirements.txt
		DEPENDS docenv
		COMMAND ${CMAKE_COMMAND} -E copy ${LAMMPS_DOC_DIR}/utils/requirements.txt requirements.txt
		COMMAND ${DOCENV_BINARY_DIR}/pip install -r requirements.txt --upgrade
		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
		)

		add_custom_target(
		doc ALL
		DEPENDS html
		SOURCES ${LAMMPS_DOC_DIR}/utils/requirements.txt ${DOC_SOURCES}
		)

		install(DIRECTORY ${CMAKE_BINARY_DIR}/html DESTINATION ${CMAKE_INSTALL_DOCDIR})
		endif()

		###############################################################################
		# Install potential files in data directory
		###############################################################################
		set(LAMMPS_POTENTIALS_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/potentials)
		install(DIRECTORY ${LAMMPS_SOURCE_DIR}/../potentials DESTINATION ${CMAKE_INSTALL_DATADIR}/lammps/potentials)

		configure_file(etc/profile.d/lammps.sh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.sh @ONLY)
		configure_file(etc/profile.d/lammps.csh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.csh @ONLY)
		install(
		FILES ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.sh
		${CMAKE_BINARY_DIR}/etc/profile.d/lammps.csh
		DESTINATION ${CMAKE_INSTALL_SYSCONFDIR}/profile.d
		)

		###############################################################################
		# Testing
		#

cmake/README.md

+10 −0

Original line number	Diff line number	Diff line
		@@ -275,6 +275,16 @@ cmake -C ../cmake/presets/std_nolib.cmake ../cmake -DPKG_GPU=on
		</dl>
		</td>
		</tr>
		<tr>
		<td><code>BUILD_DOC</code></td>
		<td>control whether to build LAMMPS documentation</td>
		<td>
		<dl>
		<dt><code>off</code> (default)</dt>
		<dt><code>on</code></dt>
		</dl>
		</td>
		</tr>
		<tr>
		<td><code>LAMMPS_LONGLONG_TO_LONG</code></td>
		<td>Workaround if your system or MPI version does not recognize <code>long long</code> data types</td>

cmake/etc/profile.d/lammps.csh.in

0 → 100644

+2 −0

Original line number	Diff line number	Diff line
		# set environment for LAMMPS executables to find potential files
		if ( "$?LAMMPS_POTENTIALS" == 0 ) setenv LAMMPS_POTENTIALS @LAMMPS_POTENTIALS_DIR@

cmake/etc/profile.d/lammps.sh.in

0 → 100644

+2 −0

Original line number	Diff line number	Diff line
		# set environment for LAMMPS executables to find potential files
		export LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS-@LAMMPS_POTENTIALS_DIR@}

doc/Makefile

+1 −1

Original line number	Diff line number	Diff line
		@@ -157,7 +157,7 @@ $(RSTDIR)/%.rst : src/%.txt $(TXT2RST)
		@(\
		mkdir -p $(RSTDIR) ; \
		. $(VENV)/bin/activate ;\
		txt2rst $< > $@ ;\
		txt2rst -v $< > $@ ;\
		deactivate ;\
		)

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