From dd61ded311abda89440ee62de0b740684c5acc12 Mon Sep 17 00:00:00 2001 From: "Ryan S. Elliott" Date: Mon, 5 Nov 2018 09:24:02 -0600 Subject: [PATCH] Update cmake build to work with cmake-based KIM --- cmake/CMakeLists.txt | 46 ++++++++++++------------- cmake/Modules/FindKIM-API-V2.cmake | 55 ++++++++++++++++++++++++++++++ cmake/Modules/FindKIM.cmake | 22 ------------ 3 files changed, 78 insertions(+), 45 deletions(-) create mode 100644 cmake/Modules/FindKIM-API-V2.cmake delete mode 100644 cmake/Modules/FindKIM.cmake diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 418bdd0dba..5402ac1987 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -454,7 +454,7 @@ endif() if(PKG_LATTE) option(DOWNLOAD_LATTE "Download latte (instead of using the system's one)" OFF) if(DOWNLOAD_LATTE) - if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR + if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7") endif() message(STATUS "LATTE not found - we will build our own") @@ -485,15 +485,15 @@ if(PKG_USER-SCAFACOS) ExternalProject_Add(scafacos_build URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz URL_MD5 bd46d74e3296bd8a444d731bb10c1738 - CONFIGURE_COMMAND /configure --prefix= - --disable-doc + CONFIGURE_COMMAND /configure --prefix= + --disable-doc --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m --with-internal-fftw --with-internal-pfft --with-internal-pnfft - $<$:--with-pic> - FC=${CMAKE_MPI_Fortran_COMPILER} - CXX=${CMAKE_MPI_CXX_COMPILER} + $<$:--with-pic> + FC=${CMAKE_MPI_Fortran_COMPILER} + CXX=${CMAKE_MPI_CXX_COMPILER} CC=${CMAKE_MPI_C_COMPILER} F77= ) @@ -547,7 +547,7 @@ if(PKG_USER-SMD) if(DOWNLOAD_EIGEN3) include(ExternalProject) ExternalProject_Add(Eigen3_build - URL http://bitbucket.org/eigen/eigen/get/3.3.4.tar.gz + URL http://bitbucket.org/eigen/eigen/get/3.3.4.tar.gz URL_MD5 1a47e78efe365a97de0c022d127607c3 CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) @@ -588,23 +588,23 @@ if(PKG_KIM) if(DOWNLOAD_KIM) include(ExternalProject) ExternalProject_Add(kim_build - URL https://github.com/openkim/kim-api/archive/v1.9.5.tar.gz - URL_MD5 9f66efc128da33039e30659f36fc6d00 - BUILD_IN_SOURCE 1 - CONFIGURE_COMMAND /configure --prefix= + URL https://s3.openkim.org/kim-api/kim-api-v2.0.0-beta.2.txz + URL_MD5 1fbdbb734059cf0dc9d807e6dd6cc8ea + BINARY_DIR build + CMAKE_ARGS -DCMAKE_CXX_COMPILER=g++-8 -DCMAKE_C_COMPILER=gcc-8 -DCMAKE_Fortran_COMPILER=gfortran-8 -DCMAKE_INSTALL_PREFIX= -DCMAKE_BUILD_TYPE=Release ) ExternalProject_get_property(kim_build INSTALL_DIR) - set(KIM_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api-v1) - set(KIM_LIBRARIES ${INSTALL_DIR}/lib/libkim-api-v1.so) + set(KIM-API-V2_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api-v2) + set(KIM-API-V2_LIBRARIES ${INSTALL_DIR}/lib/libkim-api-v2.2${CMAKE_SHARED_LIBRARY_SUFFIX}) list(APPEND LAMMPS_DEPS kim_build) else() - find_package(KIM) - if(NOT KIM_FOUND) - message(FATAL_ERROR "KIM not found, help CMake to find it by setting KIM_LIBRARY and KIM_INCLUDE_DIR, or set DOWNLOAD_KIM=ON to download it") + find_package(KIM-API-V2) + if(NOT KIM-API-V2_FOUND) + message(FATAL_ERROR "KIM not found, help CMake to find it by setting PKG_CONFIG_PATH, or set DOWNLOAD_KIM=ON to download it") endif() endif() - list(APPEND LAMMPS_LINK_LIBS ${KIM_LIBRARIES}) - include_directories(${KIM_INCLUDE_DIRS}) + list(APPEND LAMMPS_LINK_LIBS ${KIM-API-V3_LIBRARIES}) + include_directories(${KIM-API-V2_INCLUDE_DIRS}) endif() if(PKG_MESSAGE) @@ -645,7 +645,7 @@ if(PKG_MSCG) find_package(GSL REQUIRED) option(DOWNLOAD_MSCG "Download latte (instead of using the system's one)" OFF) if(DOWNLOAD_MSCG) - if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR + if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7") endif() include(ExternalProject) @@ -1020,7 +1020,7 @@ if(PKG_USER-INTEL) endif() if(PKG_GPU) - if (CMAKE_VERSION VERSION_LESS "3.1") + if (CMAKE_VERSION VERSION_LESS "3.1") message(FATAL_ERROR "For the GPU package you need at least cmake-3.1") endif() set(GPU_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/GPU) @@ -1224,7 +1224,7 @@ if(BUILD_EXE) add_dependencies(lmp ${LAMMPS_DEPS}) endif() endif() - + set_target_properties(lmp PROPERTIES OUTPUT_NAME ${LAMMPS_BINARY}) install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR}) install(FILES ${LAMMPS_DOC_DIR}/lammps.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1 RENAME ${LAMMPS_BINARY}.1) @@ -1361,14 +1361,14 @@ message(STATUS "<<< Build configuration >>> get_property(LANGUAGES GLOBAL PROPERTY ENABLED_LANGUAGES) list (FIND LANGUAGES "Fortran" _index) if (${_index} GREATER -1) - message(STATUS "Fortran Compiler ${CMAKE_Fortran_COMPILER} + message(STATUS "Fortran Compiler ${CMAKE_Fortran_COMPILER} Type ${CMAKE_Fortran_COMPILER_ID} Version ${CMAKE_Fortran_COMPILER_VERSION} Fortran Flags ${CMAKE_Fortran_FLAGS} ${CMAKE_Fortran_FLAGS_${BTYPE}}") endif() list (FIND LANGUAGES "C" _index) if (${_index} GREATER -1) - message(STATUS "C Compiler ${CMAKE_C_COMPILER} + message(STATUS "C Compiler ${CMAKE_C_COMPILER} Type ${CMAKE_C_COMPILER_ID} Version ${CMAKE_C_COMPILER_VERSION} C Flags ${CMAKE_C_FLAGS} ${CMAKE_C_FLAGS_${BTYPE}}") diff --git a/cmake/Modules/FindKIM-API-V2.cmake b/cmake/Modules/FindKIM-API-V2.cmake new file mode 100644 index 0000000000..0cc947e139 --- /dev/null +++ b/cmake/Modules/FindKIM-API-V2.cmake @@ -0,0 +1,55 @@ +# +# CDDL HEADER START +# +# The contents of this file are subject to the terms of the Common Development +# and Distribution License Version 1.0 (the "License"). +# +# You can obtain a copy of the license at +# http://www.opensource.org/licenses/CDDL-1.0. See the License for the +# specific language governing permissions and limitations under the License. +# +# When distributing Covered Code, include this CDDL HEADER in each file and +# include the License file in a prominent location with the name LICENSE.CDDL. +# If applicable, add the following below this CDDL HEADER, with the fields +# enclosed by brackets "[]" replaced with your own identifying information: +# +# Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. +# +# CDDL HEADER END +# + +# +# Copyright (c) 2013--2018, Regents of the University of Minnesota. +# All rights reserved. +# +# Contributors: +# Richard Berger +# Christoph Junghans +# Ryan S. Elliott +# + +# +# Release: This file is part of the kim-api.git repository. +# + + +# - Find KIM-API-V2 +# +# 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 +# +find_package(PkgConfig REQUIRED) +include(FindPackageHandleStandardArgs) + +pkg_check_modules(KIM-API-V2 REQUIRED libkim-api-v2>=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) + +# handle the QUIETLY and REQUIRED arguments and set KIM-API-V2_FOUND to TRUE +# if all listed variables are TRUE +find_package_handle_standard_args(KIM-API-V2 REQUIRED_VARS KIM-API-V2_LIBRARIES) diff --git a/cmake/Modules/FindKIM.cmake b/cmake/Modules/FindKIM.cmake deleted file mode 100644 index e29f26e01d..0000000000 --- a/cmake/Modules/FindKIM.cmake +++ /dev/null @@ -1,22 +0,0 @@ -# - Find kim -# Find the native KIM headers and libraries. -# -# KIM_INCLUDE_DIRS - where to find kim.h, etc. -# KIM_LIBRARIES - List of libraries when using kim. -# KIM_FOUND - True if kim found. -# - -find_path(KIM_INCLUDE_DIR KIM_SimulatorHeaders.hpp PATH_SUFFIXES kim-api-v2) - -find_library(KIM_LIBRARY NAMES kim-api-v2) - -set(KIM_LIBRARIES ${KIM_LIBRARY}) -set(KIM_INCLUDE_DIRS ${KIM_INCLUDE_DIR}) - -include(FindPackageHandleStandardArgs) -# handle the QUIETLY and REQUIRED arguments and set KIM_FOUND to TRUE -# if all listed variables are TRUE - -find_package_handle_standard_args(KIM DEFAULT_MSG KIM_LIBRARY KIM_INCLUDE_DIR) - -mark_as_advanced(KIM_INCLUDE_DIR KIM_LIBRARY )