Bug 2349019 - Review Request: python-basis_set_exchange - A repository for quantum chemistry basis sets
Summary: Review Request: python-basis_set_exchange - A repository for quantum chemistr...
Keywords:
Status: CLOSED ERRATA
Alias: None
Product: Fedora
Classification: Fedora
Component: Package Review
Version: rawhide
Hardware: All
OS: Linux
medium
medium
Target Milestone: ---
Assignee: Benson Muite
QA Contact: Fedora Extras Quality Assurance
URL: https://github.com/MolSSI-BSE/basis_s...
Whiteboard:
Depends On:
Blocks:
TreeView+ depends on / blocked
 
Reported: 2025-02-28 14:05 UTC by Susi Lehtola
Modified: 2025-06-01 01:54 UTC (History)
3 users (show)

Fixed In Version:
Clone Of:
Environment:
Last Closed: 2025-06-01 01:22:54 UTC
Type: ---
Embargoed:
benson_muite: fedora-review+


Attachments (Terms of Use)
The .spec file difference from Copr build 8709949 to 8710836 (1.67 KB, patch)
2025-02-28 19:06 UTC, Fedora Review Service
no flags Details | Diff
The .spec file difference from Copr build 8710836 to 8714604 (1011 bytes, patch)
2025-03-01 12:23 UTC, Fedora Review Service
no flags Details | Diff

Description Susi Lehtola 2025-02-28 14:05:55 UTC
Spec URL: https://jussilehtola.fedorapeople.org/python-basis_set_exchange.spec
SRPM URL: https://jussilehtola.fedorapeople.org/python-basis_set_exchange-0.11-1.fc41.src.rpm
Fedora Account System Username: jussilehtola

Description:
This project is a library containing basis sets for use in quantum
chemistry calculations. In addition, this library has functionality
for manipulation of basis set data.

The goal of this project is to create a consistent, thoroughly curated
database of basis sets, and to provide a standard nomenclature for
quantum chemistry.

The data contained within this library is being thoroughly evaluated
and checked against relevant literature, software implementations, and
other databases when available. The original data from the PNNL Basis
Set Exchange is also available.

This library is used to form the backend of the new Basis Set Exchange
website.

This project is a collaboration between the Molecular Sciences
Software Institute (https://molssi.org) and the Environmental
Molecular Sciences Laboratory (https://www.emsl.pnl.gov)

When publishing results obtained from use of the Basis Set Exchange
software, please cite:

* A New Basis Set Exchange: An Open, Up-to-date Resource for the
  Molecular Sciences Community Benjamin P. Pritchard, Doaa Altarawy,
  Brett Didier, Tara D. Gibson, and Theresa L. Windus
  J. Chem. Inf. Model. 2019, 59(11), 4814-4820
  doi:10.1021/acs.jcim.9b00725

For citing the previous EMSL/PNNL Basis Set Exchange, please cite the
following references:

* The Role of Databases in Support of Computational Chemistry
  Calculations, Feller, D., J. Comp. Chem. 1996, 17(13), 1571-1586,
  doi:10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
* Basis Set Exchange: A Community Database for Computational Sciences
  Schuchardt, K.L., Didier, B.T., Elsethagen, T., Sun, L.,
  Gurumoorthi, V., Chase, J., Li, J., and Windus,
  T.L. J. Chem. Inf. Model. 2007, 47(3), 1045-1052,
  doi:10.1021/ci600510

Comment 1 Fedora Review Service 2025-02-28 14:10:56 UTC
Copr build:
https://copr.fedorainfracloud.org/coprs/build/8709949
(failed)

Build log:
https://download.copr.fedorainfracloud.org/results/@fedora-review/fedora-review-2349019-python-basis_set_exchange/fedora-rawhide-x86_64/08709949-python-basis_set_exchange/builder-live.log.gz

Please make sure the package builds successfully at least for Fedora Rawhide.

- If the build failed for unrelated reasons (e.g. temporary network
  unavailability), please ignore it.
- If the build failed because of missing BuildRequires, please make sure they
  are listed in the "Depends On" field


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Comment 2 Benson Muite 2025-02-28 18:20:51 UTC
Perhaps remove
pip install -e .

Comment 3 Susi Lehtola 2025-02-28 18:38:07 UTC
pip install -e .
does not work in the buildroot (or the build system) due to lack of network connectivity.

Switching to pypi sources fixed the issue.

https://jussilehtola.fedorapeople.org/python-basis_set_exchange.spec
https://jussilehtola.fedorapeople.org/python-basis_set_exchange-0.11-2.fc41.src.rpm

Comment 4 Fedora Review Service 2025-02-28 18:38:18 UTC
There seems to be some problem with the following file.
SRPM URL: https://jussilehtola.fedorapeople.org/python-basis_set_exchange-0.11-2.fc41.src.rpm
Fetching it results in a 404 Not Found error.
Please make sure the URL is correct and publicly available.


---
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https://github.com/FrostyX/fedora-review-service

If you want to trigger a new Copr build, add a comment containing new
Spec and SRPM URLs or [fedora-review-service-build] string.

Comment 5 Susi Lehtola 2025-02-28 18:42:41 UTC
Guess I only uploaded an updated spec, not the srpm...
[fedora-review-service-build]

Comment 6 Fedora Review Service 2025-02-28 19:06:46 UTC
Created attachment 2078274 [details]
The .spec file difference from Copr build 8709949 to 8710836

Comment 7 Fedora Review Service 2025-02-28 19:06:48 UTC
Copr build:
https://copr.fedorainfracloud.org/coprs/build/8710836
(succeeded)

Review template:
https://download.copr.fedorainfracloud.org/results/@fedora-review/fedora-review-2349019-python-basis_set_exchange/fedora-rawhide-x86_64/08710836-python-basis_set_exchange/fedora-review/review.txt

Found issues:

- python3-pytest7 is deprecated, you must not depend on it.
  Read more: https://docs.fedoraproject.org/en-US/packaging-guidelines/deprecating-packages/

Please know that there can be false-positives.

---
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Spec and SRPM URLs or [fedora-review-service-build] string.

Comment 8 Benson Muite 2025-03-01 04:09:20 UTC
May need to remove shebangs see https://docs.fedoraproject.org/en-US/packaging-guidelines/Python/

python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dfo/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/move.py 644 /usr/bin/env python3

Comment 9 Susi Lehtola 2025-03-01 12:08:34 UTC
(In reply to Benson Muite from comment #8)
> May need to remove shebangs see
> https://docs.fedoraproject.org/en-US/packaging-guidelines/Python/
> 
> python3-basis_set_exchange.noarch: E: non-executable-script
> /usr/lib/python3.13/site-packages/basis_set_exchange/data/dfo/fix_template.
> py 644 /usr/bin/env python3
> python3-basis_set_exchange.noarch: E: non-executable-script
> /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/
> fix_template.py 644 /usr/bin/env python3
> python3-basis_set_exchange.noarch: E: non-executable-script
> /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/
> fix_template.py 644 /usr/bin/env python3
> python3-basis_set_exchange.noarch: E: non-executable-script
> /usr/lib/python3.13/site-packages/basis_set_exchange/data/fix_template.py
> 644 /usr/bin/env python3
> python3-basis_set_exchange.noarch: E: non-executable-script
> /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/
> fix_template.py 644 /usr/bin/env python3
> python3-basis_set_exchange.noarch: E: non-executable-script
> /usr/lib/python3.13/site-packages/basis_set_exchange/data/move.py 644
> /usr/bin/env python3

These are pretty much aesthetic issues, since one is not supposed to be running files from the Python site packages directory anyway separately. However, I have addressed this.


https://jussilehtola.fedorapeople.org/python-basis_set_exchange.spec
https://jussilehtola.fedorapeople.org/python-basis_set_exchange-0.11-3.fc41.src.rpm

Comment 10 Fedora Review Service 2025-03-01 12:23:54 UTC
Created attachment 2078354 [details]
The .spec file difference from Copr build 8710836 to 8714604

Comment 11 Fedora Review Service 2025-03-01 12:23:56 UTC
Copr build:
https://copr.fedorainfracloud.org/coprs/build/8714604
(succeeded)

Review template:
https://download.copr.fedorainfracloud.org/results/@fedora-review/fedora-review-2349019-python-basis_set_exchange/fedora-rawhide-x86_64/08714604-python-basis_set_exchange/fedora-review/review.txt

Found issues:

- python3-pytest7 is deprecated, you must not depend on it.
  Read more: https://docs.fedoraproject.org/en-US/packaging-guidelines/deprecating-packages/

Please know that there can be false-positives.

---
This comment was created by the fedora-review-service
https://github.com/FrostyX/fedora-review-service

If you want to trigger a new Copr build, add a comment containing new
Spec and SRPM URLs or [fedora-review-service-build] string.

Comment 12 Benson Muite 2025-03-08 13:07:22 UTC
Package Review
==============

Legend:
[x] = Pass, [!] = Fail, [-] = Not applicable, [?] = Not evaluated
[ ] = Manual review needed


Issues:
=======
- Package must not depend on deprecated() packages.
  Note: python3-pytest7 is deprecated, you must not depend on it.
  See: https://docs.fedoraproject.org/en-US/packaging-
  guidelines/deprecating-packages/


===== MUST items =====

Generic:
[x]: Package is licensed with an open-source compatible license and meets
     other legal requirements as defined in the legal section of Packaging
     Guidelines.
[x]: License field in the package spec file matches the actual license.
     Note: Checking patched sources after %prep for licenses. Licenses
     found: "Unknown or generated", "BSD 3-Clause License", "*No copyright*
     BSD 3-Clause License". 4985 files have unknown license. Detailed
     output of licensecheck in /home/fedora-packaging/reviews/python-
     basis_set_exchange/2349019-python-basis_set_exchange/licensecheck.txt
[x]: Package must own all directories that it creates.
     Note: Directories without known owners: /usr/lib/python3.13/site-
     packages, /usr/lib/python3.13
[x]: Package contains no bundled libraries without FPC exception.
[x]: Changelog in prescribed format.
[x]: Sources contain only permissible code or content.
[-]: Package contains desktop file if it is a GUI application.
[-]: Development files must be in a -devel package
[x]: Package uses nothing in %doc for runtime.
[x]: Package consistently uses macros (instead of hard-coded directory
     names).
[ ]: Package is named according to the Package Naming Guidelines.
[x]: Package does not generate any conflict.
[x]: Package obeys FHS, except libexecdir and /usr/target.
[-]: If the package is a rename of another package, proper Obsoletes and
     Provides are present.
[x]: Requires correct, justified where necessary.
[x]: Spec file is legible and written in American English.
[-]: Package contains systemd file(s) if in need.
[x]: Package is not known to require an ExcludeArch tag.
[ ]: Package complies to the Packaging Guidelines
[x]: Package successfully compiles and builds into binary rpms on at least
     one supported primary architecture.
[x]: Package installs properly.
[x]: Rpmlint is run on all rpms the build produces.
     Note: There are rpmlint messages (see attachment).
[x]: If (and only if) the source package includes the text of the
     license(s) in its own file, then that file, containing the text of the
     license(s) for the package is included in %license.
[x]: The License field must be a valid SPDX expression.
[x]: Package requires other packages for directories it uses.
[x]: Package does not own files or directories owned by other packages.
[x]: Package uses either %{buildroot} or $RPM_BUILD_ROOT
[x]: Package does not run rm -rf %{buildroot} (or $RPM_BUILD_ROOT) at the
     beginning of %install.
[x]: Macros in Summary, %description expandable at SRPM build time.
[x]: Dist tag is present.
[x]: Package does not contain duplicates in %files.
[x]: Permissions on files are set properly.
[x]: Package use %makeinstall only when make install DESTDIR=... doesn't
     work.
[x]: Package is named using only allowed ASCII characters.
[x]: Package does not use a name that already exists.
[x]: Package is not relocatable.
[x]: Sources used to build the package match the upstream source, as
     provided in the spec URL.
[x]: Spec file name must match the spec package %{name}, in the format
     %{name}.spec.
[x]: File names are valid UTF-8.
[x]: Large documentation must go in a -doc subpackage. Large could be size
     (~1MB) or number of files.
     Note: Documentation size is 3884 bytes in 1 files.
[x]: Packages must not store files under /srv, /opt or /usr/local

Python:
[-]: Python eggs must not download any dependencies during the build
     process.
[-]: A package which is used by another package via an egg interface should
     provide egg info.
[x]: Package meets the Packaging Guidelines::Python
[x]: Package contains BR: python2-devel or python3-devel
[x]: Packages MUST NOT have dependencies (either build-time or runtime) on
     packages named with the unversioned python- prefix unless no properly
     versioned package exists. Dependencies on Python packages instead MUST
     use names beginning with python2- or python3- as appropriate.
[x]: Python packages must not contain %{pythonX_site(lib|arch)}/* in %files
[x]: Binary eggs must be removed in %prep

===== SHOULD items =====

Generic:
[-]: If the source package does not include license text(s) as a separate
     file from upstream, the packager SHOULD query upstream to include it.
[x]: Final provides and requires are sane (see attachments).
[ ]: Package functions as described.
[x]: Latest version is packaged.
[x]: Package does not include license text files separate from upstream.
[-]: Sources are verified with gpgverify first in %prep if upstream
     publishes signatures.
     Note: gpgverify is not used.
[x]: Package should compile and build into binary rpms on all supported
     architectures.
[x]: %check is present and all tests pass.
[x]: Packages should try to preserve timestamps of original installed
     files.
[x]: Reviewer should test that the package builds in mock.
[x]: Buildroot is not present
[x]: Package has no %clean section with rm -rf %{buildroot} (or
     $RPM_BUILD_ROOT)
[x]: No file requires outside of /etc, /bin, /sbin, /usr/bin, /usr/sbin.
[x]: Packager, Vendor, PreReq, Copyright tags should not be in spec file
[x]: Sources can be downloaded from URI in Source: tag
[x]: SourceX is a working URL.
[x]: Spec use %global instead of %define unless justified.

===== EXTRA items =====

Generic:
[x]: Rpmlint is run on all installed packages.
     Note: There are rpmlint messages (see attachment).
[x]: Spec file according to URL is the same as in SRPM.


Rpmlint
-------
Checking: python3-basis_set_exchange-0.11-2.fc43.noarch.rpm
          python-basis_set_exchange-0.11-2.fc43.src.rpm
============================ rpmlint session starts ============================
rpmlint: 2.6.1
configuration:
    /usr/lib/python3.13/site-packages/rpmlint/configdefaults.toml
    /etc/xdg/rpmlint/fedora-spdx-licenses.toml
    /etc/xdg/rpmlint/fedora.toml
    /etc/xdg/rpmlint/scoring.toml
    /etc/xdg/rpmlint/users-groups.toml
    /etc/xdg/rpmlint/warn-on-functions.toml
rpmlintrc: [PosixPath('/tmp/tmpmc5_5_zm')]
checks: 32, packages: 2

python-basis_set_exchange.src: E: spelling-error ('Pritchard', '%description -l en_US Pritchard -> Richard')
python-basis_set_exchange.src: E: spelling-error ('Windus', '%description -l en_US Windus -> Hindus, Winds, Windups')
python-basis_set_exchange.src: E: spelling-error ('doi', '%description -l en_US doi -> dpi, do, oi')
python-basis_set_exchange.src: E: spelling-error ('acs', '%description -l en_US acs -> ac, as, cs')
python-basis_set_exchange.src: E: spelling-error ('jcim', '%description -l en_US jcim -> jimmy')
python3-basis_set_exchange.noarch: E: spelling-error ('Pritchard', '%description -l en_US Pritchard -> Richard')
python3-basis_set_exchange.noarch: E: spelling-error ('Windus', '%description -l en_US Windus -> Hindus, Winds, Windups')
python3-basis_set_exchange.noarch: E: spelling-error ('doi', '%description -l en_US doi -> dpi, do, oi')
python3-basis_set_exchange.noarch: E: spelling-error ('acs', '%description -l en_US acs -> ac, as, cs')
python3-basis_set_exchange.noarch: E: spelling-error ('jcim', '%description -l en_US jcim -> jimmy')
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dfo/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/move.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: W: no-manual-page-for-binary bse
python3-basis_set_exchange.noarch: W: no-manual-page-for-binary bsecurate
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/6-311PPGSS.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/6-311PPG(2d,2p).notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/MINI.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/6-311PPG(3df,3pd).notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VTZP.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-MB.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VDZ.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VDZP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VQZP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VTZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/DGAUSS-A1EXCHANGE.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/DGAUSS-A1COULOMB.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pCVDZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pVQ+dZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pV5+dZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pVD+dZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pV6Z.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pVT+dZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pVD+dZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVTZ-PP.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCV5Z-PP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVDZ-PP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVQZ-PP.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCV5Z.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVQZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pwCV5Z.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVDZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVTZ-DK.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVQZ-DK.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pCVDZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pV5Z_FI_SF_SC.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pV5Z_FI_SF_LC.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pwCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pwCVQZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pV6Z.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pV5Z.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pVQZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZP_diffuse.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZP.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZ_rydberg2.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZP_rydberg.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP_rydberg.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZ_rydberg.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP_diffuse_rydberg.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP_diffuse.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/fix_template.py /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/fix_template.py:/usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/fix_template.py
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/6-31g.0.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/curate_test_data/6-31g-bse.nw.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/diffuse_augmentation/aug-cc-pvtz/qaug-cc-pvtz.nw.ref.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/diffuse_augmentation/aug-cc-pvtz/aug-cc-pvtz.nw.ref.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/nwchem/def2-tzvp.good.2.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/dalton/def2-tzvp.good.2.mol.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/turbomole/6-31g.bad.16.tm.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/turbomole/6-31g.bad.15.tm.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-5z.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-5z.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-dz.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-dz.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-qz.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-qz.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-tz.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-tz.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l2-contracted.1.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l1-contracted.1.nw.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l2.1.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l1.1.nw.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/steep_augmentation/un-aug-cc-pvtz/un-aug-cc-pvtz.nw.ref.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/steep_augmentation/un-aug-cc-pvtz/un-aug-cc-pvtz.nw.bz2
 2 packages and 0 specfiles checked; 16 errors, 35 warnings, 9 filtered, 16 badness; has taken 8.1 s 




Rpmlint (installed packages)
----------------------------
============================ rpmlint session starts ============================
rpmlint: 2.7.0
configuration:
    /usr/lib/python3.13/site-packages/rpmlint/configdefaults.toml
    /etc/xdg/rpmlint/fedora-spdx-licenses.toml
    /etc/xdg/rpmlint/fedora.toml
    /etc/xdg/rpmlint/scoring.toml
    /etc/xdg/rpmlint/users-groups.toml
    /etc/xdg/rpmlint/warn-on-functions.toml
checks: 32, packages: 1

python3-basis_set_exchange.noarch: E: spelling-error ('Pritchard', '%description -l en_US Pritchard -> Richard')
python3-basis_set_exchange.noarch: E: spelling-error ('Windus', '%description -l en_US Windus -> Hindus, Winds, Windups')
python3-basis_set_exchange.noarch: E: spelling-error ('doi', '%description -l en_US doi -> dpi, do, oi')
python3-basis_set_exchange.noarch: E: spelling-error ('acs', '%description -l en_US acs -> ac, as, cs')
python3-basis_set_exchange.noarch: E: spelling-error ('jcim', '%description -l en_US jcim -> jimmy')
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dfo/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/move.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: W: no-manual-page-for-binary bse
python3-basis_set_exchange.noarch: W: no-manual-page-for-binary bsecurate
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/6-311PPGSS.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/6-311PPG(2d,2p).notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/MINI.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/6-311PPG(3df,3pd).notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VTZP.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-MB.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VDZ.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VDZP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VQZP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/ANO-RCC-VTZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/DGAUSS-A1EXCHANGE.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/DGAUSS-A1COULOMB.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pCVDZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pVQ+dZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pV5+dZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pVD+dZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pV6Z.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pVT+dZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pVD+dZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVTZ-PP.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCV5Z-PP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVDZ-PP.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVQZ-PP.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCV5Z.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVQZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pwCV5Z.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVDZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVTZ-DK.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/aug-cc-pwCVQZ-DK.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pCVDZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pV5Z_FI_SF_SC.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pV5Z_FI_SF_LC.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pwCVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/cc-pwCVQZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pV6Z.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pV5Z.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pVTZ.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/d-aug-cc-pVQZ.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZP_diffuse.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZP.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZ_rydberg2.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZP_rydberg.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP_rydberg.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_DZ_rydberg.notes:/usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP_diffuse_rydberg.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP_diffuse.notes /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunhay_SVP.notes
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/fix_template.py /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/fix_template.py:/usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/fix_template.py
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/6-31g.0.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/curate_test_data/6-31g-bse.nw.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/diffuse_augmentation/aug-cc-pvtz/qaug-cc-pvtz.nw.ref.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/diffuse_augmentation/aug-cc-pvtz/aug-cc-pvtz.nw.ref.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/nwchem/def2-tzvp.good.2.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/dalton/def2-tzvp.good.2.mol.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/turbomole/6-31g.bad.16.tm.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/reader_test_data/turbomole/6-31g.bad.15.tm.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-5z.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-5z.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-dz.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-dz.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-qz.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-qz.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/ccx-tz.1.gbs.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/aug-ccx-tz.1.gbs.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l2-contracted.1.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l1-contracted.1.nw.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l2.1.nw.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/sources/paw-l1.1.nw.bz2
python3-basis_set_exchange.noarch: W: files-duplicate /usr/lib/python3.13/site-packages/basis_set_exchange/tests/steep_augmentation/un-aug-cc-pvtz/un-aug-cc-pvtz.nw.ref.bz2 /usr/lib/python3.13/site-packages/basis_set_exchange/tests/steep_augmentation/un-aug-cc-pvtz/un-aug-cc-pvtz.nw.bz2
 1 packages and 0 specfiles checked; 11 errors, 35 warnings, 4 filtered, 11 badness; has taken 2.1 s 



Source checksums
----------------
https://files.pythonhosted.org/packages/source/b/basis_set_exchange/basis_set_exchange-0.11.tar.gz :
  CHECKSUM(SHA256) this package     : 80f89348e4cc52b12f89391f923564eb5f877e316e2f8fe1e4f28df769d2c852
  CHECKSUM(SHA256) upstream package : 80f89348e4cc52b12f89391f923564eb5f877e316e2f8fe1e4f28df769d2c852


Requires
--------
python3-basis_set_exchange (rpmlib, GLIBC filtered):
    /usr/bin/python3
    python(abi)
    python3.13dist(argcomplete)
    python3.13dist(jsonschema)
    python3.13dist(regex)
    python3.13dist(unidecode)



Provides
--------
python3-basis_set_exchange:
    python-basis_set_exchange
    python3-basis_set_exchange
    python3.13-basis_set_exchange
    python3.13dist(basis-set-exchange)
    python3dist(basis-set-exchange)



Generated by fedora-review 0.10.0 (e79b66b) last change: 2023-07-24
Command line :/usr/bin/fedora-review -b 2349019
Buildroot used: fedora-rawhide-x86_64
Active plugins: Shell-api, Python, Generic
Disabled plugins: Perl, Haskell, fonts, SugarActivity, C/C++, Java, Ocaml, PHP, R
Disabled flags: EXARCH, EPEL6, EPEL7, DISTTAG, BATCH

Comments:
a) License file has metadata
$ rpm -qL  python3-basis_set_exchange-0.11-2.fc43.noarch.rpm 
/usr/lib/python3.13/site-packages/basis_set_exchange-0.11.dist-info/LICENSE
/usr/share/licenses/python3-basis_set_exchange/LICENSE

Please change
%files -n python%{python3_pkgversion}-basis_set_exchange -f %{pyproject_files}
%license LICENSE
to
%files -n python%{python3_pkgversion}-basis_set_exchange -f %{pyproject_files}
b) %tox does not do anything here and can be removed.
c) Approved. Please fix a and b before import.

Comment 13 Benson Muite 2025-03-08 13:10:32 UTC
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dfo/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_pp/bse_v0/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/dunning_x2c/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/jgauss/fix_template.py 644 /usr/bin/env python3
python3-basis_set_exchange.noarch: E: non-executable-script /usr/lib/python3.13/site-packages/basis_set_exchange/data/move.py 644 /usr/bin/env python3


Has been fixed.

Comment 14 Miro Hrončok 2025-03-11 11:27:36 UTC
The %tox invocation in spec seems bogus. Same as %pyproject_buildrequires -t option.

Comment 15 Susi Lehtola 2025-03-11 12:43:04 UTC
(In reply to Miro Hrončok from comment #14)
> The %tox invocation in spec seems bogus. Same as %pyproject_buildrequires -t
> option.

why?

Comment 16 Miro Hrončok 2025-03-11 13:27:27 UTC
%pyproject_buildrequires -t (the option) generates a dependency on tox but no other dependency.

%tox runs no tests.

Upstream does not seem to use tox or have any tox configuration.

Comment 17 Fedora Update System 2025-05-23 10:36:23 UTC
FEDORA-2025-ed9886fa8f (python-basis_set_exchange-0.11-4.fc42) has been submitted as an update to Fedora 42.
https://bodhi.fedoraproject.org/updates/FEDORA-2025-ed9886fa8f

Comment 18 Fedora Update System 2025-05-23 10:36:24 UTC
FEDORA-2025-5410391f44 (python-basis_set_exchange-0.11-4.fc41) has been submitted as an update to Fedora 41.
https://bodhi.fedoraproject.org/updates/FEDORA-2025-5410391f44

Comment 19 Susi Lehtola 2025-05-23 10:37:29 UTC
This one slipped under my radar. Update submitted including changes suggested by mhroncok.

Comment 20 Fedora Update System 2025-05-24 02:13:03 UTC
FEDORA-2025-5410391f44 has been pushed to the Fedora 41 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf install --enablerepo=updates-testing --refresh --advisory=FEDORA-2025-5410391f44 \*`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2025-5410391f44

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 21 Fedora Update System 2025-05-24 02:56:59 UTC
FEDORA-2025-ed9886fa8f has been pushed to the Fedora 42 testing repository.
Soon you'll be able to install the update with the following command:
`sudo dnf install --enablerepo=updates-testing --refresh --advisory=FEDORA-2025-ed9886fa8f \*`
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2025-ed9886fa8f

See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates.

Comment 22 Fedora Update System 2025-06-01 01:22:54 UTC
FEDORA-2025-ed9886fa8f (python-basis_set_exchange-0.11-4.fc42) has been pushed to the Fedora 42 stable repository.
If problem still persists, please make note of it in this bug report.

Comment 23 Fedora Update System 2025-06-01 01:54:38 UTC
FEDORA-2025-5410391f44 (python-basis_set_exchange-0.11-4.fc41) has been pushed to the Fedora 41 stable repository.
If problem still persists, please make note of it in this bug report.


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