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[Bug Report] AttributeError: module 'scipy.stats' has no attribute 'gibrat' #91
Description
Activity
My current fix is adjusting the environment.yml file:
name: tst_env channels: - defaults - cantera - pytorch - anaconda - conda-forge dependencies: - python - rmg::rmg - conda-forge::ase - conda-forge::cclib >= 1.7.0 - conda-forge::py3dmol - rmg::rdkit >= 2019.03.4 - codecov - nose - matplotlib - pip: - git+https://github.com/bp-kelley/descriptastorus
This is unstainable due to the fact the author of the repo for descriptastorus will be merging the update at some point
We can also do something like this:
name: tst_env channels: - defaults - cantera - pytorch - anaconda - conda-forge dependencies: - python - rmg::rmg - conda-forge::ase - conda-forge::cclib >= 1.7.0 - conda-forge::py3dmol - rmg::rdkit>=2019.03.4 - rmg::descriptastorus - codecov - nose - matplotlib
But the problem is we get stuck with descriptastorus 2.2.0 in the RMG Channel
- pinned this issue
on Jul 28, 2023 - unpinned this issue
on Jul 28, 2023
Describe the bug
The package 'descriptastorus' has had a recent fix in the naming convention for the attribute 'gibrat' - https://github.com/bp-kelley/descriptastorus/blob/86eedc60546abe6f59cdbcb12025a61157ba178d/descriptastorus/descriptors/dists.py#L207C1-L207C1 as in scipy they used to refer it to
gilbratbut have since fixed it to begibrat(notice the removal of thel). This is not reflected n the git repository but there was an upload of a new version, 2.6.0, in the conda-forge channel: https://anaconda.org/conda-forge/descriptastorus. And so, the fix up is included in this versionHowever, since AutoTST is kept to python 3.7.* (I believe due to RMG), it installs an older version of scipy (1.7.3), whereas descriptastorus is expecting scipy>=1.9.0. and therefore, the older version still maintains the attribute naming convention as
gilbrat