pip install diffpy.structure==3.3.1rc0
cd /path/to/diffpy.structure
pytest
FAILED tests/test_loadstructure.py::TestLoadStructure::test_badfile - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char0(Trying to find one of END, data_heading)
FAILED tests/test_p_cif.py::TestP_cif::test_parse - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char552(Trying to find one of data_value_1, start_sc_line)
FAILED tests/test_p_cif.py::TestP_cif::test_parseFile - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char552(Trying to find one of data_value_1, start_sc_line)
FAILED tests/test_p_cif.py::TestP_cif::test_parseLines - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char565(Trying to find one of data_value_1, start_sc_line)
FAILED tests/test_p_discus.py::TestP_discus::test_spdiameter_parsing - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char0(Trying to find one of END, data_heading)
FAILED tests/test_p_discus.py::TestP_discus::test_stepcut_parsing - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char0(Trying to find one of END, data_heading)
FAILED tests/test_p_pdffit.py::TestP_pdffit::test_spdiameter_parsing - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char0(Trying to find one of END, data_heading)
FAILED tests/test_p_pdffit.py::TestP_pdffit::test_stepcut_parsing - CifFile.yapps3_compiled_rt.YappsSyntaxError: SyntaxError@char0(Trying to find one of END, data_heading)
conda config --add channels conda-forge
conda install pycifrw
Problem
Running the commands
will get the error
Reinstall
pycifrwfromconda-forgecan fix this problem.Proposed solution
pycifrwin the installation instructions.conda-forge