Your message dated Thu, 04 Mar 2021 12:03:33 +0000
with message-id <e1lhmhz-0006h1...@fasolo.debian.org>
and subject line Bug#983481: fixed in psi4 1:1.3.2+dfsg-2
has caused the Debian Bug report #983481,
regarding psi4: autopkgtest regression
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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-- 
983481: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=983481
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems
--- Begin Message ---
Source: psi4
Version: 1:1.3.2+dfsg-1
X-Debbugs-CC: debian...@lists.debian.org
Severity: serious
User: debian...@lists.debian.org
Usertags: regression

Dear maintainer(s),

With a recent upload of psi4 the autopkgtest of psi4 fails in testing
when that autopkgtest is run with the binary packages of psi4 from
unstable. It passes when run with only packages from testing. In tabular
form:

                       pass            fail
psi4                   from testing    1:1.3.2+dfsg-1
all others             from testing    from testing

I copied some of the output at the bottom of this report.

Currently this regression is blocking the migration to testing [1]. Can
you please investigate the situation and fix it?

More information about this bug and the reason for filing it can be found on
https://wiki.debian.org/ContinuousIntegration/RegressionEmailInformation

Paul

[1] https://qa.debian.org/excuses.php?package=psi4

https://ci.debian.net/data/autopkgtest/testing/amd64/p/psi4/10660550/log.gz

autopkgtest [11:09:23]: test testsuite.sh: [-----------------------
Running test psi4numpy/rhf-hessian... FAILED
LOG:


2021-02-24 11:09
Running test psi4numpy/rhf... FAILED
LOG:


2021-02-24 11:09
Running test python/energy... FAILED
LOG:


2021-02-24 11:09
Running test chemps2/scf-n2... FAILED
LOG:


2021-02-24 11:09
Skipping test pasture-ccsorttransqt2/ccenergy_driver
Running test dfmp2-1... FAILED
LOG:


2021-02-24 11:09
Running test cc1... FAILED
LOG:


2021-02-24 11:09
Running test casscf-sp... FAILED
LOG:


2021-02-24 11:09
Skipping test mrcc/ccsdt
Skipping test dftd3/energy
Skipping test dkh/molpro-2order
Skipping test gcp/hf3c
Running test tu1-h2o-energy... FAILED
LOG:


2021-02-24 11:09
Running test json/schema-1-gradient... FAILED
LOG:


2021-02-24 11:09
Skipping test v2rdm_casscf/v2rdm3
Running test erd/scf5... FAILED
LOG:


2021-02-24 11:09
 Case Study Test of all SCF algorithms/spin-degeneracies: Singlet-Triplet O2
   -Nuclear Repulsion:
        Triplet nuclear repulsion energy..................................PASSED
        Singlet nuclear repulsion energy..................................PASSED
Running test fcidump... FAILED
LOG:


2021-02-24 11:09
Skipping test snsmp2/he-he
Skipping test libefp/qchem-qmefp-sp
Skipping test pcmsolver/opt-fd
Skipping test pcmsolver/scf
Running test sapt1... FAILED
LOG:


2021-02-24 11:09
Running test scf-property... FAILED
LOG:


2021-02-24 11:09
        Nuclear repulsion energy..........................................PASSED
Skipping test gdma/gdma1
Skipping test cfour/sp-rhf-ccsd_t_
Running test simint/scf5... FAILED
LOG:


2021-02-24 11:09
 Case Study Test of all SCF algorithms/spin-degeneracies: Singlet-Triplet O2
   -Nuclear Repulsion:
        Triplet nuclear repulsion energy..................................PASSED
        Singlet nuclear repulsion energy..................................PASSED
Some tests failed
autopkgtest [11:09:40]: test testsuite.sh: -----------------------]

Attachment: OpenPGP_signature
Description: OpenPGP digital signature


--- End Message ---
--- Begin Message ---
Source: psi4
Source-Version: 1:1.3.2+dfsg-2
Done: Graham Inggs <gin...@debian.org>

We believe that the bug you reported is fixed in the latest version of
psi4, 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 983...@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Graham Inggs <gin...@debian.org> (supplier of updated psi4 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 ftpmas...@ftp-master.debian.org)


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512

Format: 1.8
Date: Thu, 04 Mar 2021 11:31:06 +0000
Source: psi4
Architecture: source
Version: 1:1.3.2+dfsg-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-de...@lists.alioth.debian.org>
Changed-By: Graham Inggs <gin...@debian.org>
Closes: 983481
Changes:
 psi4 (1:1.3.2+dfsg-2) unstable; urgency=medium
 .
   * Tighten dependencies on libint (Closes: #983481)
Checksums-Sha1:
 4f11e3b5588d43f815e170fa92609b726cfb1f9d 2367 psi4_1.3.2+dfsg-2.dsc
 65fbbad32e8864607d9e3fe15327c38fc93e769e 14568 psi4_1.3.2+dfsg-2.debian.tar.xz
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 59b311a2ba058201a43925bc0827e4620b1494b03c20993a8b69cc208869a8d5 2367 
psi4_1.3.2+dfsg-2.dsc
 03bcbb1217ed3208e4c33c30df6672278167e657b575f577e9698822a3005eb3 14568 
psi4_1.3.2+dfsg-2.debian.tar.xz
Files:
 4ddaca947ce924722d9d41cd4c544b90 2367 science optional psi4_1.3.2+dfsg-2.dsc
 bac7cae2aa0b9e95647d21cee7ba6b18 14568 science optional 
psi4_1.3.2+dfsg-2.debian.tar.xz

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--- End Message ---

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