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35 # This CMakeLists.txt allows source distributions of the gmxapi Python package
36 # to rely on scikit-build for support of various Python packaging systems. The
37 # simplest use case is to allow the `setup.py` file to invoke skbuild to
38 # configure and run CMake. CMake could be invoked directly by the user or a
39 # parent package, but the Python distribution would not be packaged automatically.
40 # Reference https://redmine.gromacs.org/issues/2896 for additional discussion.
41 cmake_minimum_required(VERSION 3.9.6)
43 # This needs to be set before project() in order to pick up toolchain files
44 #list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/../../cmake)
46 # OS X deployment target should be >=10.9 for modern C++ compatibility.
47 # Reference https://scikit-build.readthedocs.io/en/latest/generators.html#macosx
48 # and https://github.com/MacPython/wiki/wiki/Spinning-wheels
49 set(CMAKE_OSX_DEPLOYMENT_TARGET 10.9 CACHE STRING
50 "OS X deployment target below 10.9 does not use modern standard library"
52 set(CMAKE_OSX_ARCHITECTURES x86_64 CACHE STRING
53 "OS X should build Python package for 64-bit architecture"
56 project(gmxapi VERSION 0.1.0)
58 set(CMAKE_CXX_STANDARD 14)
59 set(CMAKE_CXX_STANDARD_REQUIRED ON)
61 # Only interpret if() arguments as variables or keywords when unquoted.
62 cmake_policy(SET CMP0054 NEW)
63 # honor the language standard settings for try_compile()
64 cmake_policy(SET CMP0067 NEW)
66 # TODO: Account for externally-provided pybind headers where recommended by packaging system.
67 # Reference https://redmine.gromacs.org/issues/2896
68 add_subdirectory(external/pybind)
70 set(GMXAPI_PYTHON_EXTENSION_SOURCES
74 pybind11_add_module(_gmxapi
75 ${GMXAPI_PYTHON_EXTENSION_SOURCES}
78 target_include_directories(_gmxapi PRIVATE
79 ${CMAKE_CURRENT_SOURCE_DIR}/gmxapi
80 ${CMAKE_CURRENT_BINARY_DIR}/gmxapi
83 install(TARGETS _gmxapi LIBRARY DESTINATION gmxapi)
86 # TODO: Determine packaging and installation cases and implementation.
87 # Reference https://redmine.gromacs.org/issues/2896 for additional discussion.
88 message(WARNING "CMake should be run by scikit-build through setup.py for proper Python packaging.")
89 # Try to do something sensible. Collect Python sources as setup.py would.
90 file(GLOB_RECURSE _py_sources CONFIGURE_DEPENDS $CMAKE_CURRENT_SOURCE_DIR/gmxapi/*.py)
91 install(FILES ${_py_sources} DESTINATION gmxapi)