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CMakeLists.txt
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CMakeLists.txt
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add_custom_target(coordgen_support ALL)
if(RDK_BUILD_COORDGEN_SUPPORT)
if(NOT DEFINED MAEPARSER_DIR)
set(MAEPARSER_DIR "${CMAKE_CURRENT_SOURCE_DIR}/maeparser")
endif()
if(NOT EXISTS "${MAEPARSER_DIR}/MaeParser.hpp")
set(SHA "83368293dcc0eb07562dadfb7728b8d18d23a6cb")
downloadAndCheckMD5("https://codeload.github.com/schrodinger/maeparser/tar.gz/${SHA}"
"${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz"
"32c0c3b315bba49fbf4c41a07aa58528")
execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
file(RENAME "maeparser-${SHA}" "${MAEPARSER_DIR}")
else()
message("-- Found MAEParser source in ${MAEPARSER_DIR}")
endif()
file(GLOB MAESOURCES "${MAEPARSER_DIR}/*.cpp")
rdkit_library(maeparser ${MAESOURCES} SHARED )
install(TARGETS maeparser DESTINATION ${RDKit_LibDir})
if(NOT DEFINED COORDGEN_DIR)
set(COORDGEN_DIR "${CMAKE_CURRENT_SOURCE_DIR}/coordgenlibs")
endif()
if(NOT EXISTS "${COORDGEN_DIR}/sketcherMinimizer.h")
set(SHA "ede3191bf1c1dde53f70ca086014ff9ec7768c55")
downloadAndCheckMD5("https://codeload.github.com/schrodinger/coordgenlibs/tar.gz/${SHA}"
"${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz"
"") # we aren't testing the md5 here because this code is still changing quickly
execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
file(RENAME "coordgenlibs-${SHA}" "${COORDGEN_DIR}")
else()
message("-- Found coordgenlibs source in ${COORDGEN_DIR}")
endif()
file(GLOB CGSOURCES "${COORDGEN_DIR}/*.cpp")
rdkit_library(coordgenlib ${CGSOURCES} SHARED LINK_LIBRARIES maeparser)
install(TARGETS coordgenlib DESTINATION ${RDKit_LibDir})
set(MAE_FILES ${COORDGEN_DIR}/templates.mae )
install(FILES ${MAE_FILES}
DESTINATION ${RDKit_ShareDir}/Data
COMPONENT data )
include_directories(${CMAKE_CURRENT_SOURCE_DIR})
set(RDK_COORDGEN_LIBS MolAlign coordgenlib maeparser CACHE STRING "the external libraries" FORCE)
rdkit_headers(CoordGen.h DEST GraphMol)
if(RDK_BUILD_PYTHON_WRAPPERS)
add_subdirectory(Wrap)
endif(RDK_BUILD_PYTHON_WRAPPERS)
rdkit_test(testCoordGen test.cpp
LINK_LIBRARIES
${RDK_COORDGEN_LIBS} Depictor
FileParsers SmilesParse SubstructMatch GraphMol
RDGeneral DataStructs RDGeneral RDGeometryLib
${RDKit_THREAD_LIBS})
else (RDK_BUILD_COORDGEN_SUPPORT)
set(RDK_COORDGEN_LIBS CACHE STRING "the external libraries" FORCE)
endif(RDK_BUILD_COORDGEN_SUPPORT)