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fix: pycifrw from PyPI is not working with diffpy.structure=3.3.1rc0 #144
Description
Problem
Running the commands
pip install diffpy.structure==3.3.1rc0
cd /path/to/diffpy.structure
pytest
will get the error
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)
Reinstall pycifrw from conda-forge can fix this problem.
conda config --add channels conda-forge
conda install pycifrw
Proposed solution
- Add the instruction to reinstall
pycifrwin the installation instructions. - Fix the problem so we don't have to reinstall it from
conda-forge - Remove the reinstalling instruction after it is fixed.
Activity
[-]fix: `pycifrw` from `PyPI` is not working in `3.3.1rc0`[/-][+]fix: `pycifrw` from `PyPI` is not working with `diffpy.structure=3.3.1rc0`[/+]sbillinge commentedon Jul 23, 2025
Thanks for this @ycexiao
ycexiao commentedon Jul 24, 2025
Closed as it is completed from #146