Your message dated Fri, 07 Nov 2025 23:46:13 +0000
with message-id <[email protected]>
and subject line Bug#1119963: fixed in nwchem 7.3.1-1
has caused the Debian Bug report #1119963,
regarding nwchem: water_pme QA test fails: Illegal input to pfft3d
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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1119963: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1119963
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Package: nwchem
Version: 7.3.0-1
Severity: normal
Control: forwarded -1 https://github.com/nwchemgit/nwchem/issues/1196
debci tests for nwchem 7.3.0 are passing, except for water_pme:
708s 00/10/25 08:24:45 md 0+ 10000 @ 298.15 K water_md
708s 00/10/25 09:11:13 md 0+ 50000 @ 298.15 K water_md
708s 00/10/25 11:28:04 md 0+ 50000 @ 298.15 K water_md
708s ME = 0 Illegal input to pfft3d. INFO=
-8
708s ME = 0 Exiting via pfft3d
708s cat:
/tmp/autopkgtest-lxc.85ctlaf8/downtmp/build.YJL/src/QA/testoutputs/water_pme.err:
No such file or directory
e.g. https://ci.debian.net/packages/n/nwchem/unstable/amd64/65736964/
Reported upstream at https://github.com/nwchemgit/nwchem/issues/1196
--- End Message ---
--- Begin Message ---
Source: nwchem
Source-Version: 7.3.1-1
Done: Drew Parsons <[email protected]>
We believe that the bug you reported is fixed in the latest version of
nwchem, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to [email protected],
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Drew Parsons <[email protected]> (supplier of updated nwchem package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing [email protected])
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Date: Fri, 07 Nov 2025 23:44:59 +0100
Source: nwchem
Architecture: source
Version: 7.3.1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Drew Parsons <[email protected]>
Closes: 1119963
Changes:
nwchem (7.3.1-1) unstable; urgency=medium
.
* New upstream release
- fixes pem. Closes: #1119963
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