Your message dated Wed, 3 Jan 2024 13:35:13 +0200
with message-id <a9ff850f-2a6a-413b-80c2-3614141dc...@debian.org>
and subject line Re: Bug#1055696: 1055696: more info
has caused the Debian Bug report #1055696,
regarding python3-rdkit: unusable with Python 3.12
to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

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1055696: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1055696
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--- Begin Message ---
Package: parmed
Version: 4.2.2+dfsg-1
Severity: important
Tags: sid trixie
User: debian-pyt...@lists.debian.org
Usertags: python3.12


parmed ftbfs with Python 3.12 in the tests, although I'm also seeing some test failures with 3.11, which are not seen in the last Debian build.

[...] 3.12
=========================== short test summary info ============================ FAILED test/test_parmed_formats.py::TestPDBStructure::test_download - socket.... FAILED test/test_parmed_formats.py::TestPDBStructure::test_download_save - so... FAILED test/test_parmed_formats.py::TestCIFStructure::test_download - socket.... FAILED test/test_parmedtools_actions.py::TestAmoebaParmActions::test_delete_bond = 4 failed, 734 passed, 177 skipped, 1 xfailed, 11933 warnings in 241.42s (0:04:01) = E: pybuild pybuild:395: test: plugin distutils failed with: exit code=1: cd /<<PKGBUILDDIR>>/.pybuild/cpython3_3.12_parmed/build; python3.12 -m pytest test

[...] 3.11
=========================== short test summary info ============================ FAILED test/test_parmed_formats.py::TestPDBStructure::test_download - socket.... FAILED test/test_parmed_formats.py::TestPDBStructure::test_download_save - so... FAILED test/test_parmed_formats.py::TestCIFStructure::test_download - socket.... = 3 failed, 841 passed, 70 skipped, 1 xfailed, 1 xpassed, 12027 warnings in 314.67s (0:05:14) = E: pybuild pybuild:395: test: plugin distutils failed with: exit code=1: cd /<<PKGBUILDDIR>>/.pybuild/cpython3_3.11_parmed/build; python3.11 -m pytest test

complete build log at
https://launchpadlibrarian.net/696985247/buildlog_ubuntu-noble-amd64.parmed_4.2.2+dfsg-1_BUILDING.txt.gz

--- End Message ---
--- Begin Message ---
On Wed, 6 Dec 2023 18:21:17 +0200 Adrian Bunk <b...@debian.org> wrote:
On Fri, Nov 17, 2023 at 12:34:44PM +0200, Andrius Merkys wrote:
> I have reassigned this issue to python3-rdkit as Python 3.12 specific issue
> seems to be confined to python3-rdkit:
>...

parmed is built for all supported python3 versions,
but uses rdkit that is only built for the default python3 version.

That can obviously not work for non-default python3-versions,
one of the packages has to be changed.

This is correct, rdkit is built for default Python version only. Thus I made parmed build for default Python as well. Therefore there is no need to keep this bug open.

Best,
Andrius

--- End Message ---

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