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ImportError: cannot import name 'SymmetryGroup' from partially initialized module 'pymatgen.symmetry.groups' #4309

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janosh opened this issue Mar 1, 2025 · 1 comment
Open

ImportError: cannot import name 'SymmetryGroup' from partially initialized module 'pymatgen.symmetry.groups' #4309

janosh opened this issue Mar 1, 2025 · 1 comment
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@janosh
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janosh commented Mar 1, 2025

Python version

3.13

Pymatgen version

2025.2.18

Operating system version

macOS

Current behavior

from pymatgen.symmetry.groups import SpaceGroup
  File "/opt/hostedtoolcache/Python/3.11.11/x64/lib/python3.11/site-packages/pymatgen/symmetry/groups.py", line 21, in <module>
    from pymatgen.core.operations import SymmOp
  File "/opt/hostedtoolcache/Python/3.11.11/x64/lib/python3.11/site-packages/pymatgen/core/__init__.py", line 17, in <module>
    from pymatgen.core.structure import IMolecule, IStructure, Molecule, PeriodicNeighbor, SiteCollection, Structure
  File "/opt/hostedtoolcache/Python/3.11.11/x64/lib/python3.11/site-packages/pymatgen/core/structure.py", line 44, in <module>
    from pymatgen.symmetry.maggroups import MagneticSpaceGroup
  File "/opt/hostedtoolcache/Python/3.11.11/x64/lib/python3.11/site-packages/pymatgen/symmetry/maggroups.py", line 17, in <module>
    from pymatgen.symmetry.groups import SymmetryGroup, in_array_list
ImportError: cannot import name 'SymmetryGroup' from partially initialized module 'pymatgen.symmetry.groups' (most likely due to a circular import) (/opt/hostedtoolcache/Python/3.11.11/x64/lib/python3.11/site-packages/pymatgen/symmetry/groups.py)

Expected Behavior

this same error showed up twice before in 2022 and 2023

worth adding a unit test to catch this so that it doesn't slip through a 4th time

Minimal example

from pymatgen.symmetry.groups import SpaceGroup

Relevant files to reproduce this bug

showed up in janosh/pymatviz#275
@janosh janosh added the bug label Mar 1, 2025
@janosh
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janosh commented Mar 1, 2025

depending on use case, viable workaround may be to use from moyopy import SpaceGroupType instead

janosh added a commit to janosh/pymatviz that referenced this issue Mar 1, 2025
@janosh
fix pymatgen SpaceGroup circular import error
bf995bb 
materialsproject/pymatgen#4309
janosh added a commit to janosh/pymatviz that referenced this issue Mar 1, 2025
@janosh
fix pymatgen SpaceGroup circular import error
6f3d926 
materialsproject/pymatgen#4309

examples/matbench_perovskites_eda.ipynb remove ipynb cell output with huge line count
janosh added a commit to janosh/pymatviz that referenced this issue Mar 1, 2025
@janosh
fix pymatgen SpaceGroup circular import error
b56f270 
materialsproject/pymatgen#4309

examples/matbench_perovskites_eda.ipynb remove ipynb cell output with huge line count
janosh added a commit to janosh/pymatviz that referenced this issue Mar 1, 2025
@janosh
fix pymatgen SpaceGroup circular import error
631a2c5 
materialsproject/pymatgen#4309

examples/matbench_perovskites_eda.ipynb remove ipynb cell output with huge line count
janosh added a commit to janosh/pymatviz that referenced this issue Mar 1, 2025
@janosh
spglib to moyo (#275)
afcbdb8 
* remove `get_cbar_label_formatter()` from `utils/plotting.py`

- Remove corresponding import and test cases

* import `calculate_rdf` in RDF module's `__init__.py`

- Update test case in `test_both_powerups.py` to use `add_scatter` instead of `add_trace`
- Minor SVG asset updates for element pair RDFs

* swap spglib for moyopy in example notebooks

plus minor refactors

* more spglib for moyopy swapping

- Update structure visualization scripts to use moyopy for space group number retrieval
- Modify spacegroup_sunburst and spacegroup_bar to work with moyopy
- Add mapping for Hermann-Maguin short symbols to space group numbers
- Remove commented-out SVG saving in sunburst script

* fix pymatgen SpaceGroup circular import error

materialsproject/pymatgen#4309

examples/matbench_perovskites_eda.ipynb remove ipynb cell output with huge line count

* breaking: rename `crystal_sys_from_spg_num()` to `spg_to_crystal_sys()`

- now also supports converting space group symbols to crystal systems, not just numbers
- Create `spg_num_to_from_symbol()` for bidirectional space group number/symbol conversion
- bump moyopy to 0.4.1
- Modify scripts to use new utility functions across various dataset exploration examples
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