Add setup.py to fix install problem

theochem / gbasis

Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.

http://gbasis.qcdevs.org/

GNU Lesser General Public License v3.0

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Add setup.py to fix install problem #156

Closed marco-2023 closed 10 months ago

marco-2023 commented 10 months ago

Gbasis has three folders in its main level and pypi gets lost during the the discovery of top-level packages during the installation. With this the package directory is set.

Checklist

[x] Write a good description of what the PR does.
[ ] Add tests for each unit of code added (e.g. function, class)
[ ] Update documentation
[x] Squash commits that can be grouped together
[x] Rebase onto master

Type of Changes

	Type
✓	:bug: Bug fix

Ali-Tehrani commented 10 months ago

Sorry for causing this to be an issue. Right now, if you try to install under editable mode it doesn't work: pip install -e. But once this pull-request is merged #151, then you should be able to. Other than that, I can't imagine what other installation problems can occur, because all of the github actions pass on windows and linux.

marco-2023 commented 10 months ago

@Ali-Tehrani that is perfect, I will close this PR and work on the branch corresponding to PR #151. I noticed it because at the time I could not make a fresh installation.

theochem / gbasis

Add setup.py to fix install problem #156

Checklist

Type of Changes

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