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add support for MSCG

This commit is contained in:
Christoph Junghans 2017-07-16 10:37:24 -06:00
parent f50a757dc6
commit 95d9d32307
1 changed files with 29 additions and 2 deletions
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31
cmake/CMakeLists.txt
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@ -42,7 +42,7 @@ option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF)
option(ENABLE_ALL "Build all packages" OFF)
set(PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GRANULAR
KSPACE MANYBODY MC MEAM MISC MOLECULE MPIIO PYTHON RIGID REAX)
KSPACE MANYBODY MC MEAM MISC MOLECULE MSCG MPIIO PYTHON RIGID REAX)
foreach(PKG ${PACKAGES})
option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})
endforeach()
@ -169,7 +169,7 @@ if(ENABLE_REAX OR ENABLE_MEAM)
endif()
if(ENABLE_KOKKOS)
if(ENABLE_KOKKOS OR ENABLE_MSCG)
# starting with CMake 3.1 this is all you have to do to enforce C++11
set(CMAKE_CXX_STANDARD 11) # C++11...
set(CMAKE_CXX_STANDARD_REQUIRED ON) #...is required...
@ -195,6 +195,33 @@ if(ENABLE_MEAM)
include_directories(${LAMMPS_LIB_SOURCE_DIR}/meam)
endif()
if(ENABLE_MSCG)
find_package(GSL REQUIRED)
find_package(LAPACK REQUIRED)
set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/mscg)
set(MSCG_TARBALL ${LAMMPS_LIB_MSCG_BIN_DIR}/MS-CG-master.zip)
set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_MSCG_BIN_DIR}/MSCG-release-master/src)
if(NOT EXISTS ${LAMMPS_LIB_MSCG_BIN_DIR})
if(NOT EXISTS ${MSCG_TARBALL})
message(STATUS "Downloading ${MSCG_TARBALL}")
file(DOWNLOAD
https://github.com/uchicago-voth/MSCG-release/archive/master.zip
${MSCG_TARBALL} SHOW_PROGRESS) #EXPECTED_MD5 cannot be due due to master
endif()
message(STATUS "Unpacking ${MSCG_TARBALL}")
execute_process(COMMAND ${CMAKE_COMMAND} -E tar xvf ${MSCG_TARBALL}
WORKING_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/mscg)
endif()
file(GLOB MSCG_SOURCES ${LAMMPS_LIB_MSCG_BIN_DIR}/*.cpp)
list(APPEND LIB_SOURCES ${MSCG_SOURCES})
foreach(MSCG_SOURCE ${MSCG_SOURCES})
set_property(SOURCE ${MSCG_SOURCE} APPEND PROPERTY COMPILE_DEFINITIONS
DIMENSION=3 _exclude_gromacs=1)
endforeach()
include_directories(${LAMMPS_LIB_MSCG_BIN_DIR} ${GSL_INCLUDE_DIRS})
list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})
endif()
######################################################################
# packages which selectively include variants based on enabled styles
# e.g. accelerator packages