correct CMake script logic
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@ -10,13 +10,12 @@ endif()
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option(MLIAP_ENABLE_PYTHON "Build ML-IAP package with Python support" ${MLIAP_ENABLE_PYTHON_DEFAULT})
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# if ML-PACE package is included we may also include ML-PACE support in ML-IAP
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# if ML-PACE package *and* MLIAP with Python is enabled is included we may also include ML-PACE support in ML-IAP
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set(MLIAP_ENABLE_ACE_DEFAULT OFF)
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if(PKG_ML-PACE)
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set(MLIAP_ENABLE_PYTHON_DEFAULT ON)
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set(MLIAP_ENABLE_ACE_DEFAULT ON)
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endif()
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option(MLIAP_ENABLE_PYTHON "Build ML-IAP package with Python support" ${MLIAP_ENABLE_PYTHON_DEFAULT})
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option(MLIAP_ENABLE_ACE "Build ML-IAP package with ACE support" ${MLIAP_ENABLE_ACE_DEFAULT})
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if(MLIAP_ENABLE_PYTHON)
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@ -28,12 +27,6 @@ if(MLIAP_ENABLE_PYTHON)
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if(Python_VERSION VERSION_LESS 3.6)
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message(FATAL_ERROR "Python support in ML-IAP requires Python 3.6 or later")
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endif()
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if(MLIAP_ENABLE_ACE)
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if(NOT PKG_ML-PACE)
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message(FATAL_ERROR "Must enable PYTHON package and ML-PACE package for including ACE support in ML-IAP")
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endif()
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target_compile_definitions(lammps PRIVATE -DMLIAP_ACE)
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endif()
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set(MLIAP_BINARY_DIR ${CMAKE_BINARY_DIR}/cython)
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file(GLOB MLIAP_CYTHON_SRC CONFIGURE_DEPENDS ${LAMMPS_SOURCE_DIR}/ML-IAP/*.pyx)
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@ -51,3 +44,10 @@ if(MLIAP_ENABLE_PYTHON)
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target_compile_definitions(lammps PRIVATE -DMLIAP_PYTHON)
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target_include_directories(lammps PRIVATE ${MLIAP_BINARY_DIR})
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endif()
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if(MLIAP_ENABLE_ACE)
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if(NOT PKG_ML-PACE)
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message(FATAL_ERROR "Must enable ML-PACE package for including ACE support in ML-IAP")
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endif()
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target_compile_definitions(lammps PRIVATE -DMLIAP_ACE)
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endif()
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