Bug#913455: spglib breaks cod-tools autopkgtest

[Paul Gevers]

Source: spglib, cod-tools
Control: found -1 spglib/1.11.0-1
Control: found -1 cod-tools/2.2+dfsg-3
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 spglib the autopkgtest of cod-tools fails in
testing when that autopkgtest is run with the binary packages of spglib
from unstable. It passes when run with only packages from testing. In
tabular form:
                       pass            fail
spglib                 from testing    1.11.0-1
cod-tools              from testing    2.2+dfsg-3
all others             from testing    from testing

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

Currently this regression is contributing to the delay of the migration
of spglib 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? If needed, please
change the bug's severity.

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=spglib

https://ci.debian.net/data/autopkgtest/testing/amd64/c/cod-tools/1296192/log.gz

/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_001.inp:
FAILED:
50,53c50,53
< V1 V 0.5 0.8222 0.25 0.00000 Uiso 1.00
< H2 H 0.5 0.5149 0.25 0.00000 Uiso 0.50
< O9 O 0 0.7111 0.25 0.00000 Uiso 1.00
< O10 O 0 0.9262 0.25 0.00000 Uiso 1.00
---
> V1 V 0.5 0.1778 0.25 0.00000 Uiso 1.00
> H2 H 0.5 0.4851 0.25 0.00000 Uiso 0.50
> O9 O 1 0.2889 0.25 0.00000 Uiso 1.00
> O10 O 1 0.0738 0.25 0.00000 Uiso 1.00
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_002.inp:
OK
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_003.inp:
Test skipped by request - test only compatible with spglib v1.9.9
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_004.inp:
Test skipped by request - test only compatible with spglib v1.9.9
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_005.inp:
FAILED:
32,33c32,33
< _cell_angle_alpha                89.9999831346
< _cell_angle_beta                 89.9999831346
---
> _cell_angle_alpha                90.0000168654
> _cell_angle_beta                 90.0000168654
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_006.inp:
OK
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_007.inp:
Test skipped by request - test only compatible with spglib v1.9.9
/tmp/autopkgtest-lxc.9ex462xd/downtmp/autopkgtest_tmp/tests/cases/cif_find_symmetry_008.inp:
FAILED:
2c2
< _cell_length_a                   4.01206506674
---
> _cell_length_a                   4.01206456672
5,7c5,7
< _cell_angle_alpha                90.0000000001
< _cell_angle_beta                 89.9999999995
< _cell_angle_gamma                120.000007695
---
> _cell_angle_alpha                89.9999999999
> _cell_angle_beta                 89.9999999996
> _cell_angle_gamma                119.999995327
24,25c24,25
< Ac 0.333333333333 0.666666666667 0.666666666667
< Ac 0.666666666667 0.333333333333 0.555533333333
---
> Ac 0.666666666667 0.333333333333 0.333333333333
> Ac 0.333333333333 0.666666666667 0.444466666667

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 488 bytes
Desc: OpenPGP digital signature
URL: <http://alioth-lists.debian.net/pipermail/debian-science-maintainers/attachments/20181111/ebef89fe/attachment.sig>