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install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/ DESTINATION ${CMAKE_INSTALL_DATADIR}/votca/xtp-tutorials USE_SOURCE_PERMISSIONS
PATTERN ".git*" EXCLUDE
PATTERN "CMake*" EXCLUDE PATTERN "cmake_install.cmake" EXCLUDE
PATTERN "install_manifest.txt" EXCLUDE PATTERN "*~" EXCLUDE)
if(NOT SPHINX_FOUND)
return()
endif()
find_package(JUPYTER_NBCONVERT 5.4.1)
if(NOT JUPYTER_NBCONVERT_FOUND)
return()
endif()
set(NOTEBOOKS "GROMACS/Methane/QMMM_GROMACS.ipynb")
list(APPEND NOTEBOOKS "LAMMPS/Thiophene/QMMM_LAMMPS.ipynb")
list(APPEND NOTEBOOKS "tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb")
list(APPEND NOTEBOOKS "LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb")
set(NEW_NOTEBOOKS)
get_target_property(XTP_PATH VOTCA::votca_xtp XTP_PATH)
get_target_property(VOTCASHARE VOTCA::votca_xtp VOTCA_SHARE)
if(TARGET VOTCA::xtp_binds)
get_target_property(XTP_PYPATH VOTCA::xtp_binds XTP_PYPATH)
list(APPEND NOTEBOOKS "pyxtp/geometry_optimization.ipynb")
list(APPEND NOTEBOOKS "pyxtp/single_point.ipynb")
endif()
foreach(_notebook ${NOTEBOOKS})
get_filename_component(_FILE "${_notebook}" NAME)
get_filename_component(_DIR "${_notebook}" DIRECTORY)
file(MAKE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${_DIR})
file(GLOB FILES ${CMAKE_CURRENT_SOURCE_DIR}/${_DIR}/*)
add_custom_command(OUTPUT ${VOTCA_SPHINX_DIR}/xtp-tutorials/${_FILE}
COMMAND ${CMAKE_COMMAND} -E copy_directory ${CMAKE_CURRENT_SOURCE_DIR}/${_DIR} ${CMAKE_CURRENT_BINARY_DIR}/${_DIR}
COMMAND ${CMAKE_COMMAND} -E env PATH=${XTP_PATH}:$ENV{PATH} VOTCASHARE=${VOTCASHARE} PYTHONPATH=${XTP_PYPATH}:$ENV{PYTHONPATH} ${JUPYTER_EXECUTABLE} nbconvert --Application.log_level=0 --to notebook --ExecutePreprocessor.timeout=5000 --execute ${_FILE} --output ${VOTCA_SPHINX_DIR}/xtp-tutorials/${_FILE}
WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${_DIR}
DEPENDS ${FILES}
)
list(APPEND NEW_NOTEBOOKS ${VOTCA_SPHINX_DIR}/xtp-tutorials/${_FILE})
endforeach()
add_custom_target(xtp-tutorials-rst DEPENDS ${NEW_NOTEBOOKS})
add_dependencies(sphinx-deps xtp-tutorials-rst)
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