Resolves #10 : Making testing-framework module #11
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Do you need all these eggs checked in? |
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Sorry my mistake! I'll create new pull request |
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great work @LarsSchaaf, I will take a look later today |
don't worry just remove from this one with a commit or force push a modified version to the same commit, no need for a new pull request :) |
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@LarsSchaaf do you actually need see: |
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wait are there even unittests? the tests we have are the science tests here, not ones that |
| version=version["__version__"], | ||
| description=DESCRIPTION, | ||
| long_description=open("README.md").read(), | ||
| install_requires=["scipy", "numpy", "matplotlib", "pandas>=0.21.0", "scipy",], |
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- scipy is duplicated
- ase is not there
- pandas is only used in the demo notebook, not the package
- anything else?
there are optional dependencies, that I wouldn't want to install unless needed, like torch, torchani, pyjulip, etc.
| tests_require=["pytest",], | ||
| author=AUTHOR, | ||
| author_email=AUTHOR_EMAIL, | ||
| package_data={"": ["data/*", "calib/data/*"],}, |
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these directories don't seem to exist
| from setuptools import setup, find_packages | ||
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| PACKAGENAME = "testingframework" | ||
| DESCRIPTION = "Module for testing various interatomic potentials" |
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| setup( | ||
| name=PACKAGENAME, | ||
| packages=find_packages(), |
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there is no __init__.py in the testingframework directory, that may be useful there
| packages=find_packages(), | ||
| version=version["__version__"], | ||
| description=DESCRIPTION, | ||
| long_description=open("README.md").read(), |
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shall we read this in above just like the other parts? just being a little petty here, but with ... as is nicer for this, even though we can be pretty sure that the file will be closed properly like this as well.
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Finally, @LarsSchaaf can you confirm that you have installed this and used the testing of a model correctly and this reproduces the behaviour as before, or that you can document how the testing should be modified now? Once all these are done, I think it would be useful if you asked @jameskermode and @bernstei to take a look as well, because they are the longest standing users here perhaps. |
Done:
Still to do: Implementing
versioneer