sparks-baird / matbench-genmetrics

Generative materials benchmarking metrics, inspired by guacamol and CDVAE.

Home Page:https://matbench-genmetrics.readthedocs.io/

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Example in installation docs doesn't work

jamesrhester opened this issue · comments

This is part of the JOSS review openjournals/joss-reviews#5618.

The example in the installation documentation doesn't work. After pip install matbench-genmetrics into a new Python 3.11 virtual environment, I have the following:

In [1]: from mp_time_split.utils.gen import DummyGenerator
---------------------------------------------------------------------------
ModuleNotFoundError                       Traceback (most recent call last)
Cell In[1], line 1
----> 1 from mp_time_split.utils.gen import DummyGenerator

ModuleNotFoundError: No module named 'mp_time_split'

which is presumably a missing module required for the example.

In any case, the next line also fails to work.

In [2]: from matbench_genmetrics.core import MPTSMetrics10, MPTSMetrics100, MPTSMetrics1000, MPTSMetrics10000
---------------------------------------------------------------------------
ImportError                               Traceback (most recent call last)
Cell In[2], line 1
----> 1 from matbench_genmetrics.core import MPTSMetrics10, MPTSMetrics100, MPTSMetrics1000, MPTSMetrics10000

ImportError: cannot import name 'MPTSMetrics10' from 'matbench_genmetrics.core' (/home/jrh/programs/JOSS/matbench-genmetrics/lib/python3.11/site-packages/matbench_genmetrics/core/__init__.py)

Looks to be easily fixed by replacing the text with contents of scripts/core/matbench_genmetrics_basic.py

@jamesrhester, this has been updated

Thanks for the fix.