Bug#1088896: marked as done (smiles-scripts: FTBFS: scripts/smi_isomorphism: -(1) XXXXXXX: different number of moieties [...], 1 vs. 2)

Debian Bug Tracking System Mon, 16 Dec 2024 01:33:22 -0800

Your message dated Mon, 16 Dec 2024 09:31:14 +0000
with message-id <e1tn7ra-00hefn...@fasolo.debian.org>
and subject line Bug#1088896: fixed in smiles-scripts 
0.2.0+svn754+branch+system+deps-1
has caused the Debian Bug report #1088896,
regarding smiles-scripts: FTBFS: scripts/smi_isomorphism: -(1) XXXXXXX: 
different number of moieties [...], 1 vs. 2
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.

(NB: If you are a system administrator and have no idea what this
message is talking about, this may indicate a serious mail system
misconfiguration somewhere. Please contact ow...@bugs.debian.org
immediately.)


-- 
1088896: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1088896
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems

--- Begin Message ---

Package: src:smiles-scripts
Version: 0.2.0+dfsg1-6
Severity: serious
Tags: ftbfs

Dear maintainer:

During a rebuild of all packages in unstable, your package failed to build:

--------------------------------------------------------------------------------
[...]
 debian/rules binary
dh binary
   dh_update_autotools_config
   dh_autoreconf
   dh_auto_configure
   debian/rules override_dh_auto_build
make[1]: Entering directory '/<<PKGBUILDDIR>>'
mkdir jars
grep '^ ' MANIFEST.txt | sed 's/[\r ]//g' | xargs -i ln -s {} jars
dh_auto_build -- MODULE_BUILD_PARSE_YAPP= CHEMISTRY_OPENSMILES=
        make -j2 "INSTALL=install --strip-program=true" 
MODULE_BUILD_PARSE_YAPP= CHEMISTRY_OPENSMILES=
make[2]: Entering directory '/<<PKGBUILDDIR>>'
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
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find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
sed 's/@VERSION@/0.2.0/' src/Version.java.in \
| sed 's/@VCS_TEXT@//' \

src/Version.java

mkjavadepend src classes > .depend
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
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find: ‘externals’: No such file or directory
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/net/crystallography/vector/space/ChangeOfBasis.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/Version.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/OutputOption.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes 
src/net/crystallography/helpers/cdk/OrthogonaliseAtomCoordinates.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/VersionOption.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/EPSOutputOption.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/PDFOutputOption.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/SVGOutputOption.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/CDKCif2SdfHelp.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/CDKCif2SmilesHelp.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/CDKCif2XyzHelp.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/CDKDepictHelp.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/CDKRechargeHelp.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/CDKSdf2SmilesHelp.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/cdkcif2sdf.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/cdkcif2smiles.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/cdkcif2xyz.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/cdkdepict.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/cdkrecharge.java
javac  -cp 
classes:jars/cdk-data.jar:jars/cdk-interfaces.jar:jars/freehep-graphicsio-pdf.jar:jars/cdk-ioformats.jar:jars/cdk-ctab.jar:jars/freehep-graphicsio-ps.jar:jars/vecmath.jar:jars/cdk-sdg.jar:jars/cdk-depict.jar:jars/beam-core.jar:jars/cdk-renderbasic.jar:jars/cdk-render.jar:jars/cdk-isomorphism.jar:jars/cdk-structgen.jar:jars/soptions.jar:jars/log4j-1.2.jar:jars/cdk-io.jar:jars/cdk-smiles.jar:jars/cdk-renderawt.jar:jars/freehep-graphicsio-svg.jar:jars/freehep-graphicsbase.jar:jars/guava.jar:jars/cdk-standard.jar:jars/freehep-graphicsio.jar:jars/cdk-core.jar:jars/freehep-graphics2d.jar:jars/cdk-silent.jar:jars/smiles-scripts-0.2.0.jar
 -d classes src/cdksdf2smiles.java
jar cfm jars/smiles-scripts-0.2.0.jar MANIFEST.txt -C classes .
ln -sf smiles-scripts-0.2.0.jar jars/smiles-scripts.jar
make[2]: Leaving directory '/<<PKGBUILDDIR>>'
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
   debian/rules override_dh_auto_test
make[1]: Entering directory '/<<PKGBUILDDIR>>'
rm tests/cases/cdkcif2smiles_002.*
rm tests/cases/cdkcif2smiles_003.*
rm tests/cases/cdkcif2xyz_002.*
rm tests/cases/cdkcif2xyz_003.*
rm tests/cases/cdkdepict_001.*
rm tests/cases/cdkdepict_004.*
rm tests/cases/cdkdepict_005.*
rm tests/cases/cdkdepict_006.*
rm tests/cases/cdkdepict_007.*
rm tests/cases/cdkdepict_008.*
rm tests/cases/cdkdepict_009.*
rm tests/cases/cdkdepict_010.*
rm tests/cases/cdkdepict_022.*
rm tests/cases/cdkdepict_023.*
rm tests/cases/cdkdepict-cgi_001.*
rm tests/cases/cdkrecharge_015.*
rm tests/cases/cdksdf2smiles_005.*
rm tests/cases/cdksdf2smiles_007.*
rm tests/cases/cdksdf2smiles_009.*
rm tests/cases/cdksdf2smiles_010.*
rm tests/cases/cml-to-smi_005.*
rm tests/cases/sdf-to-smi_002.*
dh_auto_test -- MODULE_BUILD_PARSE_YAPP= CHEMISTRY_OPENSMILES=
        make -j2 test MODULE_BUILD_PARSE_YAPP= CHEMISTRY_OPENSMILES=
make[2]: Entering directory '/<<PKGBUILDDIR>>'
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
find: ‘externals’: No such file or directory
find: ‘externals’: No such file or directory
tests/cases/cdkcif2smiles_001.opt:                 
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_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_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:                    FAILED:
1c1
< C1(=C([N+](:C(:N1([R]))(C([H])([H])([H])))([R]))).[R]
---

[C]1(=[C]([N+](:C(:[N]1([R]))(C([H])([H])([H])))([R]))).[R]

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:                    FAILED:
1c1
< C(/C(=C(=C(\C)(/[H]))(\C))(/[H]))
---

[C](/C(=[C](=C(\[C])(/[H]))(\[C]))(/[H]))

tests/cases/sdf-to-smi_001.inp:                    OK
tests/cases/sdf-to-smi_003.inp:                    FAILED:
1c1
< 
C1(C(O([2H]))(=O([Sr+](O1)(O([2H])([2H])))))(=O).C(=O)([O-])(C(=O)([O-])).C1(C(O([2H]))(=O([Sr+](O1)(O([2H])([2H])))))(=O)
 1000002
---

C1(C(O([2H]))(=[O]([Sr+](O1)([O]([2H])([2H])))))(=O).C(=O)([O-])(C(=O)([O-])).C1(C(O([2H]))(=[O]([Sr+](O1)([O]([2H])([2H])))))(=O)
      1000002

tests/cases/sdf-to-smi_004.inp:                    OK
tests/cases/sdf-to-smi_005.inp:                    OK
tests/cases/sdf-to-smi_006.inp:                    FAILED:
1c1
< 
C1(C(O([2H]))(=O([Sr+](O1)(O([2H])([2H])))))(=O).C(=O)([O-])(C(=O)([O-])).C1(C(O([2H]))(=O([Sr+](O1)(O([2H])([2H])))))(=O)
 1000002
---

C1(C(O([2H]))(=[O]([Sr+](O1)([O]([2H])([2H])))))(=O).C(=O)([O-])(C(=O)([O-])).C1(C(O([2H]))(=[O]([Sr+](O1)([O]([2H])([2H])))))(=O)
      1000002

tests/cases/sdf-to-smi_007.inp:                    FAILED:
1c1
< 
C1([C@@]2(C([C@@]3(C([C@]1(C([C@@](C2([H])([H]))(C([O-])(=O))(C3([H])([H])))([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H]).[O-](C(=O)([C@]12(C([C@@]3(C([C@](C1([H])([H]))(C([C@](C2([H])([H]))(C3([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H])))).[Cu+2]12(N=3(C(=C(C(=C(C=3([C@](C3(=C(C(=C(C(=N13)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))(N=1(C(=C(C(=C(C=1([C@@](C1(=C(C(=C(C(=N21)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))
    2203689
---

C1([C@@]2(C([C@@]3(C([C@]1(C([C@@](C2([H])([H]))(C([O-])(=O))(C3([H])([H])))([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H]).[O-](C(=O)([C@]12(C([C@@]3(C([C@](C1([H])([H]))(C([C@](C2([H])([H]))(C3([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H])))).[Cu+2]12([N]=3(C(=C(C(=C(C=3([C@](C3(=C(C(=C(C(=[N]13)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))([N]=1(C(=C(C(=C(C=1([C@@](C1(=C(C(=C(C(=[N]21)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))
 2203689

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:                    FAILED:
1c1
< 
C1(=C(C(=C(C(=C1)))))([Se](P([Se](C1(=C(C(=C(C(=C1)))))))([Se](C1(=C(C(=C(C(=C1)))))))))
   2000618
---

C1(=[C]([C](=[C]([C](=[C]1)))))([Se](P([Se](C1(=[C]([C](=[C]([C](=[C]1)))))))([Se](C1(=[C]([C](=[C]([C](=[C]1)))))))))
  2000618

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:              FAILED:
1c1
< 
C1([C@@]2(C([C@@]3(C([C@]1(C([C@@](C2([H])([H]))(C([O-])(=O))(C3([H])([H])))([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H]).[O-](C(=O)([C@]12(C([C@@]3(C([C@](C1([H])([H]))(C([C@](C2([H])([H]))(C3([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H])))).[Cu+2]12(N=3(C(=C(C(=C(C=3([C@](C3(=C(C(=C(C(=N13)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))(N=1(C(=C(C(=C(C=1([C@@](C1(=C(C(=C(C(=N21)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))
    2203689
---

C1([C@@]2(C([C@@]3(C([C@]1(C([C@@](C2([H])([H]))(C([O-])(=O))(C3([H])([H])))([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H]).[O-](C(=O)([C@]12(C([C@@]3(C([C@](C1([H])([H]))(C([C@](C2([H])([H]))(C3([H])([H]))([H]))([H])([H]))([H]))([H])([H]))([H]))([H])([H])))).[Cu+2]12([N]=3(C(=C(C(=C(C=3([C@](C3(=C(C(=C(C(=[N]13)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))([N]=1(C(=C(C(=C(C=1([C@@](C1(=C(C(=C(C(=[N]21)([H]))([H]))([H]))([H])))(O([H]))(O([H]))))([H]))([H]))([H]))([H])))
 2203689

tests/cases/smi_canonicalise_002.inp:              FAILED:
1c1
< C(n:1(:c(:[n+](C)(:c(:c:1)))))     CHEMBL1229272
---

[C]([n]:1(:[c](:[n+]([C])(:[c](:[c]:1)))))      CHEMBL1229272

tests/cases/smi_canonicalise_003.inp:              FAILED:
1c1
< 
C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C(N(C)(C(=O))).C1(C(c:2(:c(:c(:c(:c(:c:2(:c:2(:c1(:c(:c:1(C(C(c:3(:c(:c(:c(:c(:c:3(:c:1(:n:2))))(:c:1(:c(:c:2(:c:3(:c(:c(:c(:c(:n:3([Pt]3(Cl)(n:2(:c(:c:1)(:c:1(:c(:c(:c(:c(:n3:1)))))))))))))))))))))))))(:c:1(:c(:c(C(C)(C)(C))(:c(:c(C(C)(C)(C))(:c:1)))))))))))(:c:1(:c(:c:2(:c:3(:c(:c(:c(:c(:n:3([Pt]3(Cl)(n:2(:c(:c:1)(:c:1(:c(:c(:c(:c(:n3:1))))))))))))))))))))))).F([Sb](F)(F)(F)(F)([F-])).F([Sb](F)(F)(F)(F)([F-]))
    1100753
---

F([Sb](F)(F)(F)(F)([F-])).F([Sb](F)(F)(F)(F)([F-])).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C](N([C])([C](=O))).[C]1([C](c:2(:[c](:[c](:[c](:[c](:[c]:2(:[c]:2(:c1(:[c](:c:1([C]([C](c:3(:[c](:[c](:[c](:[c](:[c]:3(:[c]:1(:n:2))))(:[c]:1(:[c](:[c]:2(:[c]:3(:[c](:[c](:[c](:[c](:[n]:3([Pt]3(Cl)([n]:2(:[c](:[c]:1)(:[c]:1(:[c](:[c](:[c](:[c](:[n]3:1)))))))))))))))))))))))))(:[c]:1(:[c](:c(C([C])([C])([C]))(:[c](:c(C([C])([C])([C]))(:[c]:1)))))))))))(:[c]:1(:[c](:[c]:2(:[c]:3(:[c](:[c](:[c](:[c](:[n]:3([Pt]3(Cl)([n]:2(:[c](:[c]:1)(:[c]:1(:[c](:[c](:[c](:[c](:[n]3:1)))))))))))))))))))))))
     1100753

tests/cases/smi_canonicalise_004.inp:              FAILED:
1c1
< C(/C(=C(/C))).C(/C(=C(/C)))
---

[C](/[C](=[C](/[C]))).[C](/[C](=[C](/[C])))

tests/cases/smi_canonicalise_005.inp:              FAILED:
1c1
< 
Br([C@@]12(C(C(N([C@@]1(N(S([H]))(c([H])(:c2([H]))))([H]))([H]))([H])([H]))([H])([H]))).Br([C@]12(C(C(N([C@]1(N(S([H]))(c([H])(:c2([H]))))([H]))([H]))([H])([H]))([H])([H])))
---

Br([C@@]12(C(C(N([C@@]1(N(S([H]))([c]([H])(:[c]2([H]))))([H]))([H]))([H])([H]))([H])([H]))).Br([C@]12(C(C(N([C@]1(N(S([H]))([c]([H])(:[c]2([H]))))([H]))([H]))([H])([H]))([H])([H])))

tests/cases/smi_canonicalise_006.inp:              OK
tests/cases/smi_canonicalise_007.inp:              FAILED:
1,4c1,4
< C1(=C(C(=C(C(=C1)))))
< c:1(:c(:c(:c(:c(:c(:c:1))))))
< c:1(:c(:c(:o(:c(:c:1)))))
< C(c:1(C)(:c(:c(:c(:c(:c:1))))))
---

[C]1(=[C]([C](=[C]([C](=[C]1)))))
[c]:1(:[c](:[c](:[c](:[c](:[c](:[c]:1))))))
[c]:1(:[c](:[c](:[o](:[c](:[c]:1)))))
[C]([c]:1([C])(:[c](:[c](:[c](:[c](:[c]:1))))))

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:              FAILED:
1,2c1,2
< 
C([C@]1([C@@](C(O(P(=O)(O([H]))(O([H]))))([H])([H]))(C1(C([H])([H])(n:1(:c([H])(:n(:c:2(:c:1(:n(:c(Cl)(:n(:c:2(N(C([H])([H])([H]))([H]))))))))))))([H]))([H]))([H]))(O(P(=O)(O([H]))(O([H]))))([H])([H])
< 
C([C@]1([C@@](C(O(P(=O)(O([H]))(O([H]))))([H])([H]))(C1(C([H])([H])(n:1(:c([H])(:n(:c:2(:c:1(:n(:c(Cl)(:n(:c:2(N(C([H])([H])([H]))([H]))))))))))))([H]))([H]))([H]))(O(P(=O)(O([H]))(O([H]))))([H])([H])
---

C([C@]1([C@@](C(O(P(=O)(O([H]))(O([H]))))([H])([H]))(C1(C([H])([H])([n]:1(:c([H])(:n(:[c]:2(:[c]:1(:n(:c(Cl)(:n(:c:2(N(C([H])([H])([H]))([H]))))))))))))([H]))([H]))([H]))(O(P(=O)(O([H]))(O([H]))))([H])([H])
C([C@]1([C@@](C(O(P(=O)(O([H]))(O([H]))))([H])([H]))(C1(C([H])([H])([n]:1(:c([H])(:n(:[c]:2(:[c]:1(:n(:c(Cl)(:n(:c:2(N(C([H])([H])([H]))([H]))))))))))))([H]))([H]))([H]))(O(P(=O)(O([H]))(O([H]))))([H])([H])

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:              FAILED:
3,4c3,4
< [H](c:1(:c([H])(:c([H])(:c([H])(:o(:c:1([H])))))))
< 
C([H])([H])([H])(c:1(C([H])([H])([H]))(:c([H])(:c([H])(:c([H])(:c([H])(:c:1([H])))))))
---

[H](c:1(:c([H])(:c([H])(:c([H])(:[o](:c:1([H])))))))
C([H])([H])([H])([c]:1(C([H])([H])([H]))(:c([H])(:c([H])(:c([H])(:c([H])(:c:1([H])))))))

tests/cases/smi_canonicalise_025.inp:              FAILED:
1c1
< 
[H](c:1(:c([H])(:c([H])(:c:2(:c([H])(:c([H])(:c([H])(:c([H])(:c:2(:c:1([H])))))))))))
---

[H](c:1(:c([H])(:c([H])(:[c]:2(:c([H])(:c([H])(:c([H])(:c([H])(:[c]:2(:c:1([H])))))))))))

tests/cases/smi_canonicalise_026.inp:              FAILED:
1c1
< F(c:1(:c:2(:c([H])(:c([H])(:c([H])(:c:2(:c([H])(:c:1([H])))))))))
---

F(c:1(:[c]:2(:c([H])(:c([H])(:c([H])(:[c]:2(:c([H])(:c:1([H])))))))))

tests/cases/smi_canonicalise_027.inp:              FAILED:
1c1
< F(c:1(:c([H])(:c([H])(:n([H])(:c:1(F))))))
---

F(c:1(:c([H])(:c([H])(:[n]([H])(:c:1(F))))))

tests/cases/smi_canonicalise_028.inp:              FAILED:
1c1
< 
C(C(O([H]))([H])([H]))([H])([H])(c:1(:c:2(:c([H])(:c([H])(:c([H])(:c([H])(:c:2(:c([H])(:c([H])(:c:1([H]))))))))))).C(C(O([H]))([H])([H]))([H])([H])(c:1(:c:2(:c([H])(:c([H])(:c([H])(:c([H])(:c:2(:c([H])(:c([H])(:c:1([H])))))))))))
---

C(C(O([H]))([H])([H]))([H])([H])(c:1(:[c]:2(:c([H])(:c([H])(:c([H])(:c([H])(:[c]:2(:c([H])(:c([H])(:c:1([H]))))))))))).C(C(O([H]))([H])([H]))([H])([H])(c:1(:[c]:2(:c([H])(:c([H])(:c([H])(:c([H])(:[c]:2(:c([H])(:c([H])(:c:1([H])))))))))))

tests/cases/smi_canonicalise_029.inp:              OK
tests/cases/smi_isomorphism_001.sh:                FAILED:
1c1
< 
[H](c:1(:c([H])(:c([H])(:c:2(:c(:c:1([H]))(:c:1(:c([H])(:c([H])(:c([H])(:c([H])(:c:2:1)))))))))))
---

[H](c:1(:c([H])(:c([H])(:[c]:2(:[c](:c:1([H]))(:[c]:1(:c([H])(:c([H])(:c([H])(:c([H])(:[c]:2:1)))))))))))

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:                FAILED:
1c1
< scripts/smi_isomorphism: -(1) XXXXXXX: different number of moieties of 
'C(C(C(O)(=O))(N))', 2 vs. 1
---

scripts/smi_isomorphism: -(1) XXXXXXX: different number of moieties of 
'[C]([C](C([O])(=O))([N]))', 2 vs. 1

tests/cases/smi_isomorphism_016.sh:                OK
tests/cases/smi_isomorphism_017.sh:                OK
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:
25c25
< scripts/smi_isomorphism: -(1) XXXXXXX: different number of moieties of 
'C1(C(C(N(C2(C(C(C(C(C2([H])([H]))([H])([H]))([H])([H]))([H])([H]))(N(C(C2(C(C(C(C(C2([H]))([H]))([H]))([H]))(Cl)))([H])))([H]))([H])))([H]))(C(C(C(C1([H]))([H]))([H]))([H])))(Cl)',
 1 vs. 2
---

scripts/smi_isomorphism: -(1) XXXXXXX: different number of moieties of 
'[C]1([C]([C]([N](C2(C(C(C(C(C2([H])([H]))([H])([H]))([H])([H]))([H])([H]))([N]([C]([C]2([C]([C]([C]([C]([C]2([H]))([H]))([H]))([H]))(Cl)))([H])))([H]))([H])))([H]))([C]([C]([C]([C]1([H]))([H]))([H]))([H])))(Cl)',
 1 vs. 2

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:
2c2
< scripts/smi_isomorphism: -(1) 2000891: different number of moieties of 
'C1(C(C(C(C2(C1(C(C(C(C2([H]))(S(O)(O)(O(C1(C(C(C(C(C1(F)([H]))([H])([H]))([H])([H]))([H])([H]))([H])([H]))([H])))))([H]))([H]))))([H]))([H]))([H]))([H])',
 2 vs. 1
---

scripts/smi_isomorphism: -(1) 2000891: different number of moieties of 
'[C]1([C]([C]([C]([C]2([C]1([C]([C]([C]([C]2([H]))(S([O])([O])(O(C1(C(C(C(C(C1(F)([H]))([H])([H]))([H])([H]))([H])([H]))([H])([H]))([H])))))([H]))([H]))))([H]))([H]))([H]))([H])',
 2 vs. 1

make[2]: Leaving directory '/<<PKGBUILDDIR>>'
find tests/outputs -name '*.diff' -a -size +0 | xargs --no-run-if-empty -i echo 
FAILED: {}
FAILED: tests/outputs/smi_canonicalise_028.diff
FAILED: tests/outputs/smi_isomorphism_032.diff
FAILED: tests/outputs/smi_canonicalise_027.diff
FAILED: tests/outputs/smi_canonicalise_024.diff
FAILED: tests/outputs/smi_canonicalise_023.diff
FAILED: tests/outputs/smi_isomorphism_013.diff
FAILED: tests/outputs/cml-to-smi_004.diff
FAILED: tests/outputs/smi_canonicalise_025.diff
FAILED: tests/outputs/smi_canonicalise_026.diff
FAILED: tests/outputs/smi_canonicalise_002.diff
FAILED: tests/outputs/sdf-to-smi_015.diff
FAILED: tests/outputs/smi_canonicalise_004.diff
FAILED: tests/outputs/sdf-to-smi_006.diff
FAILED: tests/outputs/smi_canonicalise_017.diff
FAILED: tests/outputs/cml-to-smi_008.diff
FAILED: tests/outputs/sdf-to-smi_005.diff
FAILED: tests/outputs/smi_canonicalise_001.diff
FAILED: tests/outputs/smi_canonicalise_003.diff
FAILED: tests/outputs/smi_isomorphism_022.diff
FAILED: tests/outputs/sdf-to-smi_001.diff
FAILED: tests/outputs/smi_canonicalise_006.diff
FAILED: tests/outputs/sdf-to-smi_011.diff
find tests/outputs -name '*.diff' -a -size +0 | xargs --no-run-if-empty false # 
Detect test failures
make[1]: *** [debian/rules:38: override_dh_auto_test] Error 123
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
make: *** [debian/rules:6: binary] Error 2
dpkg-buildpackage: error: debian/rules binary subprocess returned exit status 2
--------------------------------------------------------------------------------

The above is just how the build ends and not necessarily the most relevant part.
If required, the full build log is available here:

https://people.debian.org/~sanvila/build-logs/202412/

About the archive rebuild: The build was made on virtual machines from AWS,
using sbuild and a reduced chroot with only build-essential packages.

If you could not reproduce the bug please contact me privately, as I
am willing to provide ssh access to a virtual machine where the bug is
fully reproducible.

If this is really a bug in one of the build-depends, please use
reassign and affects, so that this is still visible in the BTS web
page for this package.

Thanks.

--- End Message ---

--- Begin Message ---

Source: smiles-scripts
Source-Version: 0.2.0+svn754+branch+system+deps-1
Done: Andrius Merkys <mer...@debian.org>

We believe that the bug you reported is fixed in the latest version of
smiles-scripts, 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 1088...@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Andrius Merkys <mer...@debian.org> (supplier of updated smiles-scripts 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: Fri, 13 Dec 2024 12:00:08 -0500
Source: smiles-scripts
Architecture: source
Version: 0.2.0+svn754+branch+system+deps-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-de...@lists.alioth.debian.org>
Changed-By: Andrius Merkys <mer...@debian.org>
Closes: 1088896
Changes:
 smiles-scripts (0.2.0+svn754+branch+system+deps-1) unstable; urgency=medium
 .
   * Watch a development branch where system dependencies are used
     (Closes: #1088896)
   * Cleanup Files-Excluded.
   * Drop adjust-to-external-Chemistry-OpenSMILES.patch.
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smiles-scripts_0.2.0+svn754+branch+system+deps.orig.tar.xz
 f0a17b85b7523afebd08bc9133e255ada14a9600 7424 
smiles-scripts_0.2.0+svn754+branch+system+deps-1.debian.tar.xz
 0a999a7edbe06370cc633878df8fe38777a3b052 19312 
smiles-scripts_0.2.0+svn754+branch+system+deps-1_source.buildinfo
Checksums-Sha256:
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smiles-scripts_0.2.0+svn754+branch+system+deps-1.debian.tar.xz
 0aa005e02b0c32d0162d51dd28a654ec0f6aebdba066694a153680b1c3f6e9af 19312 
smiles-scripts_0.2.0+svn754+branch+system+deps-1_source.buildinfo
Files:
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smiles-scripts_0.2.0+svn754+branch+system+deps-1.dsc
 bbbc0a5d366a0020641fc55eb092c6d5 229184 science optional 
smiles-scripts_0.2.0+svn754+branch+system+deps.orig.tar.xz
 b40d6625d8085d16916227b690b78f94 7424 science optional 
smiles-scripts_0.2.0+svn754+branch+system+deps-1.debian.tar.xz
 09283da816daaca85d44cf6f1dbaa685 19312 science optional 
smiles-scripts_0.2.0+svn754+branch+system+deps-1_source.buildinfo

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--- End Message ---

Bug#1088896: marked as done (smiles-scripts: FTBFS: scripts/smi_isomorphism: -(1) XXXXXXX: different number of moieties [...], 1 vs. 2)

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