mirror of
https://github.com/triqs/dft_tools
synced 2024-06-25 22:52:20 +02:00
345fd14a39
All existing transport features from SumkDFTTools are now integrated in sumk_dft_transport.py as functions.
feat: new code = "wannier90"
refactor: free functions instead of sum_k members
If code is chosen as wannier90:
feat: compute transport function
feat: compute OC in Wannier or Hamiltonian basis
feat: compute intra- and interband contributions separately in OC
20 lines
983 B
CMake
20 lines
983 B
CMake
# Copy h5 files to binary dir
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file(GLOB_RECURSE all_h5_ref_files RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.h5)
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foreach(file ${all_h5_ref_files})
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configure_file(${file} ${file} COPYONLY)
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endforeach()
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# Copy other files
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FILE(COPY SrVO3.pmat SrVO3.struct SrVO3.outputs SrVO3.oubwin SrVO3.ctqmcout SrVO3.symqmc SrVO3.sympar SrVO3.parproj hk_convert_hamiltonian.hk w90_convert w90_optics DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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# List of all tests
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file(GLOB all_tests RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.py)
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foreach(test ${all_tests})
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get_filename_component(test_name ${test} NAME_WE)
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get_filename_component(test_dir ${test} DIRECTORY)
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add_test(NAME Py_${test_name} COMMAND ${TRIQS_PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/${test_dir}/${test_name}.py WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${test_dir})
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set_property(TEST Py_${test_name} APPEND PROPERTY ENVIRONMENT PYTHONPATH=${PROJECT_BINARY_DIR}/python:$ENV{PYTHONPATH} ${SANITIZER_RT_PRELOAD})
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endforeach()
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