Source: libchemistry-opensmiles-perl, smiles-scripts
Control: found -1 libchemistry-opensmiles-perl/0.8.4-1
Control: found -1 smiles-scripts/0.2.0+dfsg1-1
Severity: serious
Tags: sid bookworm
User: debian...@lists.debian.org
Usertags: breaks needs-update

Dear maintainer(s),

With a recent upload of libchemistry-opensmiles-perl the autopkgtest of smiles-scripts fails in testing when that autopkgtest is run with the binary packages of libchemistry-opensmiles-perl from unstable. It passes when run with only packages from testing. In tabular form:

                       pass            fail
libchemistry-opensmiles-perl from testing    0.8.4-1
smiles-scripts         from testing    0.2.0+dfsg1-1
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 of libchemistry-opensmiles-perl 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=libchemistry-opensmiles-perl

https://ci.debian.net/data/autopkgtest/testing/amd64/s/smiles-scripts/29465786/log.gz

find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
make: svnversion: No such file or directory
find: ‘src/net’: No such file or directory
find: ‘src/net’: No such file or directory
find: ‘src/net’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
mkjavadepend src classes > .depend
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
make: svnversion: No such file or directory
find: ‘src/net’: No such file or directory
find: ‘src/net’: No such file or directory
find: ‘src/net’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
tests/cases/cdkcif2smiles_001.opt:                 OK
tests/cases/cdkcif2xyz_001.opt:                    OK
tests/cases/cdkdepict-cgi_002.sh:                  OK
tests/cases/cdkdepict_002.inp:                     OK
tests/cases/cdkdepict_003.opt:                     OK
tests/cases/cdkdepict_007.inp:                     OK
tests/cases/cdkdepict_021.opt:                     OK
tests/cases/cdkrecharge_001.opt:                   OK
tests/cases/cdkrecharge_002.sh:                    OK
tests/cases/cdkrecharge_003.opt:                   OK
tests/cases/cdkrecharge_004.opt:                   OK
tests/cases/cdkrecharge_005.opt:                   OK
tests/cases/cdkrecharge_006.inp:                   OK
tests/cases/cdkrecharge_007.opt:                   OK
tests/cases/cdkrecharge_008.inp:                   OK
tests/cases/cdkrecharge_009.opt:                   OK
tests/cases/cdkrecharge_010.opt:                   OK
tests/cases/cdkrecharge_011.opt:                   OK
tests/cases/cdkrecharge_012.inp:                   OK
tests/cases/cdkrecharge_013.inp:                   OK
tests/cases/cdkrecharge_014.inp:                   OK
tests/cases/cdkrecharge_015.inp:                   OK
tests/cases/cdkrecharge_016.sh:                    OK
tests/cases/cdkrecharge_017.sh:                    OK
tests/cases/cdkrecharge_018.inp:                   OK
tests/cases/cdkrecharge_019.inp:                   OK
tests/cases/cdkrecharge_020.inp:                   OK
tests/cases/cdksdf2smiles_001.opt:                 OK
tests/cases/cdksdf2smiles_002.inp:                 OK
tests/cases/cdksdf2smiles_003.inp:                 OK
tests/cases/cdksdf2smiles_004.inp:                 OK
tests/cases/cdksdf2smiles_006.inp:                 OK
tests/cases/cdksdf2smiles_008.inp:                 OK
tests/cases/cml-to-smi_001.inp:                    OK
tests/cases/cml-to-smi_002.inp:                    OK
tests/cases/cml-to-smi_003.inp:                    OK
tests/cases/cml-to-smi_004.inp:                    OK
tests/cases/cml-to-smi_005.inp:                    OK
tests/cases/cml-to-smi_006.inp:                    OK
tests/cases/cml-to-smi_007.inp:                    OK
tests/cases/cml-to-smi_008.inp:                    OK
tests/cases/cml-to-smi_009.inp:                    OK
tests/cases/sdf-to-smi_001.inp:                    OK
tests/cases/sdf-to-smi_002.inp:                    OK
tests/cases/sdf-to-smi_003.inp:                    OK
tests/cases/sdf-to-smi_004.inp:                    OK
tests/cases/sdf-to-smi_005.inp:                    OK
tests/cases/sdf-to-smi_006.inp:                    OK
tests/cases/sdf-to-smi_007.inp:                    OK
tests/cases/sdf-to-smi_008.inp:                    OK
tests/cases/sdf-to-smi_009.inp:                    OK
tests/cases/sdf-to-smi_010.inp:                    OK
tests/cases/sdf-to-smi_011.inp:                    OK
tests/cases/sdf-to-smi_012.inp:                    OK
tests/cases/sdf-to-smi_013.inp:                    OK
tests/cases/sdf-to-smi_014.inp:                    OK
tests/cases/sdf-to-smi_015.inp:                    OK
tests/cases/smi_canonicalise_001.inp:              OK
tests/cases/smi_canonicalise_002.inp:              OK
tests/cases/smi_canonicalise_003.inp:              OK
tests/cases/smi_canonicalise_004.inp:              OK
tests/cases/smi_canonicalise_005.inp:              OK
tests/cases/smi_canonicalise_006.inp:              OK
tests/cases/smi_canonicalise_007.inp:              OK
tests/cases/smi_canonicalise_008.inp:              OK
tests/cases/smi_canonicalise_009.inp:              OK
tests/cases/smi_canonicalise_010.inp:              OK
tests/cases/smi_canonicalise_011.inp:              OK
tests/cases/smi_canonicalise_012.inp:              OK
tests/cases/smi_canonicalise_013.inp:              OK
tests/cases/smi_canonicalise_014.inp:              OK
tests/cases/smi_canonicalise_015.inp:              OK
tests/cases/smi_canonicalise_016.inp:              OK
tests/cases/smi_canonicalise_017.inp:              OK
tests/cases/smi_canonicalise_018.inp:              OK
tests/cases/smi_canonicalise_019.inp:              OK
tests/cases/smi_canonicalise_020.inp:              OK
tests/cases/smi_canonicalise_021.inp:              OK
tests/cases/smi_canonicalise_022.inp:              OK
tests/cases/smi_canonicalise_023.inp:              OK
tests/cases/smi_canonicalise_024.inp:              OK
tests/cases/smi_canonicalise_025.inp:              OK
tests/cases/smi_canonicalise_026.inp:              OK
tests/cases/smi_canonicalise_027.inp:              OK
tests/cases/smi_canonicalise_028.inp:              OK
tests/cases/smi_canonicalise_029.inp:              OK
tests/cases/smi_isomorphism_001.sh:                OK
tests/cases/smi_isomorphism_002.sh:                OK
tests/cases/smi_isomorphism_003.sh:                OK
tests/cases/smi_isomorphism_004.sh:                OK
tests/cases/smi_isomorphism_005.sh:                OK
tests/cases/smi_isomorphism_006.sh:                OK
tests/cases/smi_isomorphism_007.sh:                OK
tests/cases/smi_isomorphism_008.sh:                OK
tests/cases/smi_isomorphism_009.sh:                OK
tests/cases/smi_isomorphism_010.sh:                OK
tests/cases/smi_isomorphism_011.sh:                OK
tests/cases/smi_isomorphism_012.sh:                OK
tests/cases/smi_isomorphism_013.sh:                OK
tests/cases/smi_isomorphism_014.sh:                OK
tests/cases/smi_isomorphism_015.sh:                OK
tests/cases/smi_isomorphism_016.sh:                OK
tests/cases/smi_isomorphism_017.sh:                FAILED:
1,12d0
< scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 33 and 34 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 11 and 47 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 19 and 20 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 33 and 34 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 11 and 47 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 19 and 20 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 11 and 47 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 33 and 34 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 19 and 20 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 11 and 47 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 33 and 34 as there are no eligible single bonds nearby < scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 19 and 20 as there are no eligible single bonds nearby
tests/cases/smi_isomorphism_018.sh:                OK
tests/cases/smi_isomorphism_019.sh:                OK
tests/cases/smi_isomorphism_020.sh:                OK
tests/cases/smi_isomorphism_021.sh:                OK
tests/cases/smi_isomorphism_022.sh:                OK
tests/cases/smi_isomorphism_023.sh:                OK
tests/cases/smi_isomorphism_024.sh:                OK
tests/cases/smi_isomorphism_025.sh:                OK
tests/cases/smi_isomorphism_026.sh:                OK
tests/cases/smi_isomorphism_027.sh:                OK
tests/cases/smi_isomorphism_028.sh:                OK
tests/cases/smi_isomorphism_029.sh:                OK
tests/cases/smi_isomorphism_030.sh:                OK
tests/cases/smi_isomorphism_031.sh:                FAILED:
1d0
< scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 3 and 4 as there are no eligible single bonds nearby
3d1
< scripts/smi_isomorphism: -(1) XXXXXXX: cannot represent cis/trans bond between atoms 3 and 4 as there are no eligible single bonds nearby
tests/cases/smi_isomorphism_032.sh:                OK
tests/cases/smi_isomorphism_033.sh:                OK
tests/cases/smi_isomorphism_034.sh:                OK
tests/cases/smi_parse_001.inp:                     OK
tests/cases/smi_parse_002.inp:                     OK
tests/cases/smi_parse_003.sh:                      OK
FAILED: tests/outputs/smi_isomorphism_017.diff
FAILED: tests/outputs/smi_isomorphism_031.diff
autopkgtest [09:23:51]: test upstream

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