Merge pull request #1317 from ornladios/adios2-master (326a9762) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+14 −1

Original line number	Diff line number	Diff line
		@@ -178,7 +178,7 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
		USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF
		USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC USER-SCAFACOS
		USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK
		USER-QUIP USER-QMMM USER-YAFF)
		USER-QUIP USER-QMMM USER-YAFF USER-ADIOS)
		set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
		set(OTHER_PACKAGES CORESHELL QEQ)
		foreach(PKG ${DEFAULT_PACKAGES})
		@@ -201,6 +201,17 @@ endif()

		include_directories(${LAMMPS_SOURCE_DIR})


		if(PKG_USER-ADIOS)
		# The search for ADIOS2 must come before MPI because
		# it includes its own MPI search with the latest FindMPI.cmake
		# script that defines the MPI::MPI_C target
		enable_language(C)
		find_package(ADIOS2 REQUIRED)
		list(APPEND LAMMPS_LINK_LIBS adios2::adios2)
		endif()


		# do MPI detection after language activation, if MPI for these language is required
		find_package(MPI QUIET)
		option(BUILD_MPI "Build MPI version" ${MPI_FOUND})
		@@ -613,6 +624,7 @@ if(PKG_USER-NETCDF)
		add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)
		endif()


		if(PKG_USER-SMD)
		option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" OFF)
		if(DOWNLOAD_EIGEN3)
		@@ -1360,6 +1372,7 @@ if(BUILD_EXE)
		endif()
		endif()


		###############################################################################
		# Build documentation
		###############################################################################

+27 −0

Original line number	Diff line number	Diff line
		@@ -37,6 +37,7 @@ This is the list of packages that may require additional steps.
		"POEMS"_#poems,
		"PYTHON"_#python,
		"VORONOI"_#voronoi,
		"USER-ADIOS"_#user-adios,
		"USER-ATC"_#user-atc,
		"USER-AWPMD"_#user-awpmd,
		"USER-COLVARS"_#user-colvars,
		@@ -572,6 +573,32 @@ the lib/voronoi/Makefile.lammps file.

		:line

		USER-ADIOS package :h4,link(user-adios)

		The USER-ADIOS package requires the "ADIOS I/O library"_https://github.com/ornladios/ADIOS2,
		version 2.3.1 or newer. Make sure that you have ADIOS built either with or
		without MPI to match if you build LAMMPS with or without MPI.
		ADIOS compilation settings for LAMMPS are automatically detected, if the PATH
		and LD_LIBRARY_PATH environment variables have been updated for the local ADIOS
		installation and the instructions below are followed for the respective build systems.

		[CMake build]:

		-D ADIOS2_DIR=path # path is where ADIOS 2.x is installed
		-D PKG_USER-ADIOS=yes :pre

		[Traditional make]:

		Turn on the USER-ADIOS package before building LAMMPS. If the ADIOS 2.x software is installed in PATH, there is nothing else to do:

		make yes-user-adios :pre

		otherwise, set ADIOS2_DIR environment variable when turning on the package:

		ADIOS2_DIR=path make yes-user-adios # path is where ADIOS 2.x is installed :pre

		:line

		USER-ATC package :h4,link(user-atc)

		The USER-ATC package requires the MANYBODY package also be installed.

+1 −0

Original line number	Diff line number	Diff line
		@@ -48,6 +48,7 @@ packages:
		"POEMS"_Build_extras.html#poems,
		"PYTHON"_Build_extras.html#python,
		"VORONOI"_Build_extras.html#voronoi,
		"USER-ADIOS"_Build_extras.html#user-adios,
		"USER-ATC"_Build_extras.html#user-atc,
		"USER-AWPMD"_Build_extras.html#user-awpmd,
		"USER-COLVARS"_Build_extras.html#user-colvars,

+1 −0

Original line number	Diff line number	Diff line
		@@ -48,6 +48,7 @@ An alphabetic list of all general LAMMPS commands.
		"dimension"_dimension.html,
		"displace_atoms"_displace_atoms.html,
		"dump"_dump.html,
		"dump adios"_dump_adios.html,
		"dump image"_dump_image.html,
		"dump_modify"_dump_modify.html,
		"dump movie"_dump_image.html,

+26 −0

Original line number	Diff line number	Diff line
		@@ -63,6 +63,7 @@ as contained in the file name.
		"SRD"_#PKG-SRD,
		"VORONOI"_#PKG-VORONOI :tb(c=6,ea=c)

		"USER-ADIOS"_#PKG-USER-ADIOS,
		"USER-ATC"_#PKG-USER-ATC,
		"USER-AWPMD"_#PKG-USER-AWPMD,
		"USER-BOCS"_#PKG-USER-BOCS,
		@@ -974,6 +975,31 @@ examples/voronoi :ul

		:line

		USER-ADIOS package :link(PKG-USER-ADIOS),h4

		[Contents:]

		ADIOS is a high-performance I/O library. This package implements the
		dump "atom/adios" and dump "custom/adios" commands to write data using
		the ADIOS library.

		[Authors:] Norbert Podhorszki (ORNL) from the ADIOS developer team.

		[Install:]

		This package has "specific installation
		instructions"_Build_extras.html#user-adios on the "Build
		extras"_Build_extras.html doc page.

		[Supporting info:]

		src/USER-ADIOS: filenames -> commands
		src/USER-ADIOS/README
		examples/USER/adios
		https://github.com/ornladios/ADIOS2 :ul

		:line

		USER-ATC package :link(PKG-USER-ATC),h4

		[Contents:]