[Debichem-devel] Bug#942242: gau2grid breaks psi4 autopkgtest: Running test scf-property... FAILED

[Paul Gevers]

Source: gau2grid, psi4
Control: found -1 gau2grid/2.0.1-2
Control: found -1 psi4/1:1.2.1-2
Severity: serious
Tags: sid bullseye
X-Debbugs-CC: debian-ci at lists.debian.org
User: debian-ci at lists.debian.org
Usertags: breaks needs-update

Dear maintainers,

With a recent upload of gau2grid the autopkgtest of psi4 fails in
testing when that autopkgtest is run with the binary packages of
gau2grid from unstable. It passes when run with only packages from
testing. In tabular form:
                       pass            fail
gau2grid               from testing    2.0.1-2
psi4                   from testing    1:1.2.1-2
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 of gau2grid to
testing [1]. Due to the nature of this issue, I filed this bug report
against both packages. Can you please investigate the situation and
reassign the bug to the right package?

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=gau2grid

https://ci.debian.net/data/autopkgtest/testing/amd64/p/psi4/3146850/log.gz
autopkgtest [20:15:24]: test testsuite.sh: [-----------------------
Running test simint/scf5... OK
Skipping test gcp/hf3c
Running test python/energy... OK
Skipping test v2rdm_casscf/v2rdm3
Skipping test cfour/sp-rhf-ccsd_t_
Running test sapt1... OK
Skipping test libefp/qchem-qmefp-sp
Skipping test dftd3/energy
Running test erd/scf5... OK
Running test scf-property... FAILED
Skipping test mrcc/ccsdt
Running test dfmp2-1... OK
Running test fcidump... OK
Running test psi4numpy/rhf... OK
Running test psi4numpy/rhf-hessian... OK
Skipping test pcmsolver/scf
Skipping test pcmsolver/opt-fd
Skipping test dkh/molpro-2order
Skipping test pasture-ccsorttransqt2/ccenergy_driver
Skipping test gdma/gdma1
Running test json/schema-1-gradient... OK
Running test chemps2/scf-n2... OK
Running test casscf-sp... OK
Running test cc1... OK
Running test tu1-h2o-energy... OK
Skipping test snsmp2/he-he
Some tests failed
autopkgtest [20:16:55]: test testsuite.sh: -----------------------]



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