Source: muscle, theseus Control: found -1 muscle/1:5.1-1 Control: found -1 theseus/3.3.0-10 Severity: serious Tags: sid bookworm X-Debbugs-CC: debian-ci@lists.debian.org User: debian-ci@lists.debian.org Usertags: breaks needs-update Dear maintainer(s),With a recent upload of muscle the autopkgtest of theseus fails in testing when that autopkgtest is run with the binary packages of muscle from unstable. It passes when run with only packages from testing. In tabular form:
pass fail
muscle from testing 1:5.1-1
theseus from testing 3.3.0-10
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 muscle 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=muscle https://ci.debian.net/data/autopkgtest/testing/amd64/t/theseus/18786643/log.gz[1;31m< BEGIN THESEUS 3.3.0 >[0m I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-=I I [1;36mTHESEUS[0m: Maximum likelihood multiple superpositioning I
I=-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===IDetected 48 CPUs ... Reading pdb file ... Successfully read 10 models and/or structures Selecting coordinates for superposition ... Calculating superposition transformations ... Calculating statistics ... Calculating likelihood statistics ... 10 models superimposed in 2.1 ms * Classical LS pairwise <RMSD> 1.87300
* Least-squares <sigma> 0.72541 * Maximum Likelihood <sigma> 0.39551 ~ Marginal Log Likelihood -4487.32 ~ AIC -5223.64 ~ BIC -7333.12 + Omnibus chi^2 0.95 (P:9.98e-01) + Hierarchical var (2.34e-01, 1.50e+00) chi^2 0.76 (P:7.91e-01) + Rotational, translational, covar chi^2 0.95 (P:9.98e-01) + Hierarchical minimum var (sigma) 1.34e-02 (1.16e-01) < skewness 0.03 (P:3.00e-01) < skewness Z-value 1.04 < kurtosis 0.16 (P:1.28e-02) < kurtosis Z-value 2.49* Data pts = 5940, Free params = 655, D/P = 9.1 * Median structure = #8
* N(total) = 1980, N(atoms) = 198, N(structures) = 10 Total rounds = 15 Converged to a fractional precision of 5.2e-08 I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==ITransforming coordinates ... Writing transformations file ... Writing transformed coordinates PDB file ... Writing average coordinate file ... Done. I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==I
[1;31m< END THESEUS 3.3.0 >[0m
[1;31m< BEGIN THESEUS 3.3.0 >[0m
I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-=I
I [1;36mTHESEUS[0m: Maximum likelihood multiple
superpositioning I
I=-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===IDetected 48 CPUs ... Reading 10 pdb files ... Successfully read 10 models and/or structures Reading multiple sequence alignment ... Calculating superposition transformations ... Calculating statistics ... Calculating likelihood statistics ... 10 models superimposed in 2.2 ms * Classical LS pairwise <RMSD> 0.80299
* Least-squares <sigma> 0.32968 * Maximum Likelihood <sigma> 0.21859 ~ Marginal Log Likelihood -271.63 ~ AIC -712.02 ~ BIC -1841.58 + Omnibus chi^2 7.68 (P:0.00e+00) + Hierarchical var (7.16e-02, 1.50e+00) chi^2 1.42 (P:8.53e-02) + Rotational, translational, covar chi^2 7.73 (P:0.00e+00) + Hierarchical minimum var (sigma) 4.09e-03 (6.40e-02) < skewness -0.10 (P:1.45e-02) < skewness Z-value 2.44 < kurtosis 2.83 (P:2.15e-240) < kurtosis Z-value 33.11* Data pts = 3270, Free params = 388, D/P = 8.4 * Median structure = #8
* N(total) = 1090, N(atoms) = 109, N(structures) = 10 Total rounds = 17 Converged to a fractional precision of 7.1e-08 I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==ITransforming coordinates ... Writing transformations file ... Writing transformed coordinates PDB file ... Writing average coordinate file ... Done. I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==I
[1;31m< END THESEUS 3.3.0 >[0m
[1;31m< BEGIN THESEUS 3.3.0 >[0m
I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-=I
I [1;36mTHESEUS[0m: Maximum likelihood multiple
superpositioning I
I=-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===IDetected 48 CPUs ... Reading 10 pdb files ... Successfully read 10 models and/or structures Reading multiple sequence alignment ... Calculating superposition transformations ... Calculating statistics ... Calculating likelihood statistics ... 10 models superimposed in 2.4 ms * Classical LS pairwise <RMSD> 0.80299
* Least-squares <sigma> 0.32968 * Maximum Likelihood <sigma> 0.21859 ~ Marginal Log Likelihood -271.63 ~ AIC -712.02 ~ BIC -1841.58 + Omnibus chi^2 7.68 (P:0.00e+00) + Hierarchical var (7.16e-02, 1.50e+00) chi^2 1.42 (P:8.53e-02) + Rotational, translational, covar chi^2 7.73 (P:0.00e+00) + Hierarchical minimum var (sigma) 4.09e-03 (6.40e-02) < skewness -0.10 (P:1.45e-02) < skewness Z-value 2.44 < kurtosis 2.83 (P:2.15e-240) < kurtosis Z-value 33.11* Data pts = 3270, Free params = 388, D/P = 8.4 * Median structure = #8
* N(total) = 1090, N(atoms) = 109, N(structures) = 10 Total rounds = 17 Converged to a fractional precision of 7.1e-08 I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==ITransforming coordinates ... Writing transformations file ... Writing transformed coordinates PDB file ... Writing average coordinate file ... Done. I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==I
[1;31m< END THESEUS 3.3.0 >[0m
PDBs for superpositioning: d1cih__.pdb d1crj__.pdb d1csu__.pdb
d1csx__.pdb d1kyow_.pdb d1lfma_.pdb d1m60a_.pdb d1u74d_.pdb d1yeb__.pdb
d2pcbb_.pdb
[1;31m< BEGIN THESEUS 3.3.0 >[0m I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-=I I [1;36mTHESEUS[0m: Maximum likelihood multiple superpositioning I
I=-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===IDetected 48 CPUs ... Reading 10 pdb files ... Writing FASTA format .fst files (10) ... 1 d1cih__.pdb.fst (108 aa)
2 d1crj__.pdb.fst (108 aa)
3 d1csu__.pdb.fst (108 aa)
4 d1csx__.pdb.fst (108 aa)
5 d1kyow_.pdb.fst (108 aa)
6 d1lfma_.pdb.fst (103 aa)
7 d1m60a_.pdb.fst (104 aa)
8 d1u74d_.pdb.fst (108 aa)
9 d1yeb__.pdb.fst (108 aa)
10 d2pcbb_.pdb.fst (104 aa)
Done.
I===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-===-==I
[1;31m< END THESEUS 3.3.0 >[0m
/usr/bin/muscle -maxiters 32 -in theseus.fasta -out theseus.aln -clwstrict
Invalid command line
Unknown option maxiters
ERROR: Sequence alignment failed: no alignment file.
Usage: /usr/bin/theseus_align [theseus_options] -f pdbfile1.pdb
pdbfile2.pdb ...
autopkgtest [22:50:37]: test run-unit-test
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