Fix linters and installation using editable mode #151
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Ali-Tehrani
changed the title
- pip install under editable mode didn't work
- Adding a comment on teh pull-request based on teh coverage only works if you're doign a pull-request from teh master branch - Instead just did, get an error if it reaches a certain pt
- Fails if the total coverage is less than 90 percent.
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@marco-2023 @Ali-Tehrani I assume this fix should solve the problem with automatic update of the website. |
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@marco-2023 Hi Marco, there is also instructions on how to build the website locally on your own computer, see here. |
pyproject.toml
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| @@ -38,6 +38,10 @@ dependencies = [ | |||
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| dynamic = ["version"] | |||
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| [tool.setuptools.packages.find] | |||
| where = ["."] # list of folders that contain the packages (["."] by default) | |||
| include = ["gbasis"] # package names should match these glob patterns (["*"] by default) | |||
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Specifically this line should pass the initial setup of the package that will run action for building and updating website later
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@Ali-Tehrani @marco-2023 there is no need to do anything regarding the website build and deployment. building documentation and deployment is run automatically using GitHub actions here:
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I meant it before deployment, if you need to check the added docstrings and formulas look and formatted correctly before merging a pull-request. From what I understand, deployment only occurs when the pull-request gets merged, and not while the pull-request is running, as forked repositories don't have write permissions. |
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You are right, but I'm feeling like pushing things into ghpages branch manually may create issues with the website, especially when multiple people are working at the same time. |
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Okay, finally all of the tests and linters are working. I think it's ready to be merged and may take the executive decision to do it later, so that others can install using editable mode. Although I'm worried that it may add too much merge conflicts to others @RichRick1 I completely agree with you on this and was not intending for it to be pushed to the gh-pages but only created locally. |
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@Ali-Tehrani okay, I can remove a section |
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If you're worried about other people that have admin access, mistakenly updating it then sure. |
* Add function to get permutation with LibCint order * Apply ordering permutation to libcint arrays * Minor changes libcint conventions * Add tests and files for iodata/libcint * Change default convention for p spherical orbitals * Add install libcint to workflow * Exclude notebooks and test/*fchk from pre-commit * Fix errors workflows and pre-commit * Fix errors - Install lisp interpreter - Exclude only folders * Skip install sbcl for windows * Fix excluding folders pre-commit * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Update syntax * Debug workflows pytest * Try again if statment in workflows * Exclude libcint tests if build folder is not found * Exclude libcint tests if operating in windows os * Move imports from libcint into tests * Add some changes included in PR #151 * Change to test with IOData to cover wrappers * Delete version check IOData * Add pyscf to tests to cover wrappers * Remove pyscf and lower coverage requirement --------- Co-authored-by: Michelle Richer <michellericher93@gmail.com> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
This issue fixed the ruff errors. I left it as a pull-request in case it might mess up with merging with other pull-requests. It is also meant to test github actions. I commented out two tests so that the tests pass, see issue #152 for information about the two tests, these tests have been fixed and now pass.
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