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Update install package - #89

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loriab merged 3 commits into
MolSSI:masterfrom
jaclark5:update_install_package
Jul 30, 2026
Merged

Update install package#89
loriab merged 3 commits into
MolSSI:masterfrom
jaclark5:update_install_package

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@jaclark5

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Description

Update the package installation to include package contents, test for that, use pre-commit, remove travis and replace with GitHub Actions.

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  • Ready to go

@loriab loriab left a comment

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Later, we'll need to look at what's in these versions. https://github.com/MolSSI/QCSchema/pull/77/changes#diff-b335630551682c19a781afebcf4d07bf978fb1f8ac04c6bf87428ed5106870f5R37-R40 (unmerged) may be a clue. For history, I think this repo needs to store v1-from-here, v1-from-qcel, and v2-from qcel.

Comment thread pyproject.toml
requires-python = ">3.11"
dependencies = [
"jsonschema",
"pathlib2; python_version < '3.5'",

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why mention py35?

EDIT: nm, all the deps are old (I think we can use past sphinx v1 by now.

@loriab
loriab merged commit 5390e6f into MolSSI:master Jul 30, 2026
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2 participants