Merge pull request #4394 from rbberger/find-package-pace
ml-pace: allow linking to existing pace library
This commit is contained in:
Axel Kohlmeyer
@ -1,50 +1,62 @@
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# PACE library support for ML-PACE package
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find_package(pace QUIET)
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# set policy to silence warnings about timestamps of downloaded files. review occasionally if it may be set to NEW
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if(POLICY CMP0135)
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cmake_policy(SET CMP0135 OLD)
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endif()
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set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2023.11.25.fix.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
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set(PACELIB_MD5 "b45de9a633f42ed65422567e3ce56f9f" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
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mark_as_advanced(PACELIB_URL)
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mark_as_advanced(PACELIB_MD5)
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GetFallbackURL(PACELIB_URL PACELIB_FALLBACK)
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# LOCAL_ML-PACE points to top-level dir with local lammps-user-pace repo,
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# to make it easier to check local build without going through the public github releases
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if(LOCAL_ML-PACE)
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set(lib-pace "${LOCAL_ML-PACE}")
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if(pace_FOUND)
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find_package(pace)
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target_link_libraries(lammps PRIVATE pace::pace)
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else()
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# download library sources to build folder
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if(EXISTS ${CMAKE_BINARY_DIR}/libpace.tar.gz)
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file(MD5 ${CMAKE_BINARY_DIR}/libpace.tar.gz DL_MD5)
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endif()
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if(NOT "${DL_MD5}" STREQUAL "${PACELIB_MD5}")
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message(STATUS "Downloading ${PACELIB_URL}")
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file(DOWNLOAD ${PACELIB_URL} ${CMAKE_BINARY_DIR}/libpace.tar.gz STATUS DL_STATUS SHOW_PROGRESS)
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file(MD5 ${CMAKE_BINARY_DIR}/libpace.tar.gz DL_MD5)
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if((NOT DL_STATUS EQUAL 0) OR (NOT "${DL_MD5}" STREQUAL "${PACELIB_MD5}"))
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message(WARNING "Download from primary URL ${PACELIB_URL} failed\nTrying fallback URL ${PACELIB_FALLBACK}")
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file(DOWNLOAD ${PACELIB_FALLBACK} ${CMAKE_BINARY_DIR}/libpace.tar.gz EXPECTED_HASH MD5=${PACELIB_MD5} SHOW_PROGRESS)
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# set policy to silence warnings about timestamps of downloaded files. review occasionally if it may be set to NEW
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if(POLICY CMP0135)
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cmake_policy(SET CMP0135 OLD)
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endif()
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else()
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message(STATUS "Using already downloaded archive ${CMAKE_BINARY_DIR}/libpace.tar.gz")
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endif()
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set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2023.11.25.fix2.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
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set(PACELIB_MD5 "a53bd87cfee8b07d9f44bc17aad69c3f" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
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mark_as_advanced(PACELIB_URL)
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mark_as_advanced(PACELIB_MD5)
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GetFallbackURL(PACELIB_URL PACELIB_FALLBACK)
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# LOCAL_ML-PACE points to top-level dir with local lammps-user-pace repo,
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# to make it easier to check local build without going through the public github releases
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if(LOCAL_ML-PACE)
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set(lib-pace "${LOCAL_ML-PACE}")
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else()
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# download library sources to build folder
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if(EXISTS ${CMAKE_BINARY_DIR}/libpace.tar.gz)
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file(MD5 ${CMAKE_BINARY_DIR}/libpace.tar.gz DL_MD5)
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endif()
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if(NOT "${DL_MD5}" STREQUAL "${PACELIB_MD5}")
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message(STATUS "Downloading ${PACELIB_URL}")
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file(DOWNLOAD ${PACELIB_URL} ${CMAKE_BINARY_DIR}/libpace.tar.gz STATUS DL_STATUS SHOW_PROGRESS)
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file(MD5 ${CMAKE_BINARY_DIR}/libpace.tar.gz DL_MD5)
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if((NOT DL_STATUS EQUAL 0) OR (NOT "${DL_MD5}" STREQUAL "${PACELIB_MD5}"))
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message(WARNING "Download from primary URL ${PACELIB_URL} failed\nTrying fallback URL ${PACELIB_FALLBACK}")
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file(DOWNLOAD ${PACELIB_FALLBACK} ${CMAKE_BINARY_DIR}/libpace.tar.gz EXPECTED_HASH MD5=${PACELIB_MD5} SHOW_PROGRESS)
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endif()
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else()
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message(STATUS "Using already downloaded archive ${CMAKE_BINARY_DIR}/libpace.tar.gz")
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endif()
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# uncompress downloaded sources
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execute_process(
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COMMAND ${CMAKE_COMMAND} -E remove_directory lammps-user-pace*
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COMMAND ${CMAKE_COMMAND} -E tar xzf libpace.tar.gz
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WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
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)
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get_newest_file(${CMAKE_BINARY_DIR}/lammps-user-pace-* lib-pace)
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endif()
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add_subdirectory(${lib-pace} build-pace)
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set_target_properties(pace PROPERTIES CXX_EXTENSIONS ON OUTPUT_NAME lammps_pace${LAMMPS_MACHINE})
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if(CMAKE_PROJECT_NAME STREQUAL "lammps")
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target_link_libraries(lammps PRIVATE pace)
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# uncompress downloaded sources
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execute_process(
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COMMAND ${CMAKE_COMMAND} -E remove_directory lammps-user-pace*
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COMMAND ${CMAKE_COMMAND} -E tar xzf libpace.tar.gz
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WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
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)
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get_newest_file(${CMAKE_BINARY_DIR}/lammps-user-pace-* lib-pace)
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endif()
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# some preinstalled yaml-cpp versions don't provide a namespaced target
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find_package(yaml-cpp QUIET)
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if(TARGET yaml-cpp AND NOT TARGET yaml-cpp::yaml-cpp)
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add_library(yaml-cpp::yaml-cpp ALIAS yaml-cpp)
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endif()
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add_subdirectory(${lib-pace} build-pace)
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set_target_properties(pace PROPERTIES CXX_EXTENSIONS ON OUTPUT_NAME lammps_pace${LAMMPS_MACHINE})
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if(CMAKE_PROJECT_NAME STREQUAL "lammps")
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target_link_libraries(lammps PRIVATE pace)
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endif()
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endif()
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@ -18,11 +18,11 @@ from install_helpers import fullpath, geturl, checkmd5sum, getfallback
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# settings
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thisdir = fullpath('.')
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version ='v.2023.11.25.fix'
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version ='v.2023.11.25.fix2'
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# known checksums for different PACE versions. used to validate the download.
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checksums = { \
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'v.2023.11.25.fix': 'b45de9a633f42ed65422567e3ce56f9f'
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'v.2023.11.25.fix2': 'a53bd87cfee8b07d9f44bc17aad69c3f'
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}
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parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script")
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