On Thu, Jul 18, 2024 at 01:21:15PM +0200, Steffen Möller wrote: > Thank you, Étienne, well done! > > I addressed the lintian errors/warnings and introduced d/u/edam besides > updating d/u/metadata. > > Did not find anything to contribute to the problem of the reproducibility > test but did not want to just disable it either. IMHO we should just raise an > issue with upstream and let them fix that :) Sadly, reprotest is not > indicating the exact files that are contributing to the difference, I only > know it is in the python3-pymol package. Hm.
Maybe this helps you:
$ debdiff
control/source-root/pymol-data_3.0.0+dfsg-1+salsaci+20240718+11_all.deb
experiment-1/source-root/pymol_3.0.0+dfsg-1+salsaci+20240718+11_all.deb
[The following lists of changes regard files as different if they have
different names, permissions or owners.]
Files in second .deb but not in first
-------------------------------------
-rw-r--r-- root/root /usr/lib/mime/packages/pymol
-rw-r--r-- root/root /usr/share/applications/pymol.desktop
-rw-r--r-- root/root /usr/share/doc-base/pymol.pymol-ref-card
-rw-r--r-- root/root /usr/share/doc/pymol/AUTHORS
-rw-r--r-- root/root /usr/share/doc/pymol/DEVELOPERS
-rw-r--r-- root/root /usr/share/doc/pymol/README.Debian
-rw-r--r-- root/root /usr/share/doc/pymol/README.gz
-rw-r--r-- root/root /usr/share/doc/pymol/README.test
-rw-r--r-- root/root /usr/share/doc/pymol/TODO.Debian
-rw-r--r-- root/root /usr/share/doc/pymol/call-pymol-scripts
-rw-r--r-- root/root /usr/share/doc/pymol/changelog.Debian.gz
-rw-r--r-- root/root /usr/share/doc/pymol/changelog.gz
-rw-r--r-- root/root /usr/share/doc/pymol/copyright
-rw-r--r-- root/root /usr/share/doc/pymol/pymol-ref-card.pdf.gz
-rw-r--r-- root/root /usr/share/man/man1/pymol.1.gz
-rw-r--r-- root/root /usr/share/pixmaps/pymol.xpm
-rwxr-xr-x root/root /usr/bin/pymol
Files in first .deb but not in second
-------------------------------------
-rw-r--r-- root/root /usr/share/doc/pymol-data/changelog.Debian.gz
-rw-r--r-- root/root /usr/share/doc/pymol-data/changelog.gz
-rw-r--r-- root/root /usr/share/doc/pymol-data/copyright
-rw-r--r-- root/root /usr/share/pymol/data/chem_comp_bond-top100.cif
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ace.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/acetylene.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ala.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/arg.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/argn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/asn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/asp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/asph.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/atp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/atpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/atpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/atp_ttpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/atp_ttpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/benzene.pkl
-rw-r--r-- root/root
/usr/share/pymol/data/chempy/fragments/benzocycloheptane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/butane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_ala.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_arg.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_argn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_asn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_asp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_asph.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_cys.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_gln.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_glu.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_gluh.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_gly.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_hid.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_hie.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_hip.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_his.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_ile.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_leu.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_lys.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_lysn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_met.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_phe.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_pro.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_ser.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_thr.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_trp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_tyr.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ct_val.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ctp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ctpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ctpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ctp_gtpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ctp_gtpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cyanide.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cyclobutane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cycloheptane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cyclohexane.pkl
-rw-r--r-- root/root
/usr/share/pymol/data/chempy/fragments/cyclopentadiene.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cyclopentane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cyclopropane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/cys.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ethylene.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/formaldehyde.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/formamide.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/formic.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gln.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/glu.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gluh.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gly.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gtp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gtpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gtpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gtp_ctpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/gtp_ctpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/hid.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/hie.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/hip.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/his.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ile.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/indane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/leu.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/lys.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/lysn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/met.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/methane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/methanol.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/napthylene.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nhh.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nitro.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nme.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_ala.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_arg.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_argn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_asn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_asp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_asph.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_cys.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_gln.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_glu.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_gluh.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_gly.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_hid.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_hie.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_hip.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_his.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_ile.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_leu.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_lys.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_lysn.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_met.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_phe.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_pro.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_ser.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_thr.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_trp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_tyr.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/nt_val.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/peptide.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/phe.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/phosphite.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/pro.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/realtime.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ser.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/sulfone.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/thr.pkl
-rw-r--r-- root/root
/usr/share/pymol/data/chempy/fragments/trifluoromethane.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/trp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ttp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ttpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ttpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ttp_atpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/ttp_atpB.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/tyr.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/utp.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/utpA.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/fragments/val.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/generate1.py
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/generate2.py
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/sc_bb_dep.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/sc_bb_dep.py
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/sc_bb_ind.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/sc_bb_ind.py
-rw-r--r-- root/root /usr/share/pymol/data/chempy/sidechains/sc_library.pkl
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/Makefile.delsci
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/chempy.prm
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/make99_simple.py
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/make_simple.py
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm94.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm94_rsm.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm96.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm96_rsm.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm99.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm99_simple.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm99_wld.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm_simple.dat
-rw-r--r-- root/root /usr/share/pymol/data/chempy/tinker/parm_simple.inp
-rw-r--r-- root/root /usr/share/pymol/data/chempy/water.pdb
-rw-r--r-- root/root /usr/share/pymol/data/demo/1hpv.r3d
-rw-r--r-- root/root /usr/share/pymol/data/demo/1tii.pdb
-rw-r--r-- root/root /usr/share/pymol/data/demo/cgo03.py
-rw-r--r-- root/root /usr/share/pymol/data/demo/il2.pdb
-rw-r--r-- root/root /usr/share/pymol/data/demo/pept.pdb
-rw-r--r-- root/root /usr/share/pymol/data/demo/pept.pkl
-rw-r--r-- root/root /usr/share/pymol/data/openvr/actions.json
-rw-r--r-- root/root
/usr/share/pymol/data/openvr/bindings_vive_controller.json
-rw-r--r-- root/root /usr/share/pymol/data/openvr/hints_vive_controller.png
-rw-r--r-- root/root /usr/share/pymol/data/openvr/hints_vive_controller.svg
-rw-r--r-- root/root /usr/share/pymol/data/openvr/menu_splash.png
-rw-r--r-- root/root /usr/share/pymol/data/openvr/menu_splash.svg
-rw-r--r-- root/root /usr/share/pymol/data/pmg_qt/icons/refresh.svg
-rw-r--r-- root/root /usr/share/pymol/data/pmg_qt/styles/pymol.sty
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro5.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro5.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro6.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro6.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro65.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro65.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro66.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro66.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro67.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/aro67.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc3.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc3.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc4.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc4.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc5.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc5.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc6.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc6.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc7.gif
-rw-r--r-- root/root /usr/share/pymol/data/pmg_tk/bitmaps/builder/cyc7.xbm
-rw-r--r-- root/root /usr/share/pymol/data/pymol/cmyk.png
-rw-r--r-- root/root /usr/share/pymol/data/pymol/hsv.ppm
-rw-r--r-- root/root /usr/share/pymol/data/pymol/icons/icon2.svg
-rw-r--r-- root/root /usr/share/pymol/data/pymol/matrices/BLOSUM62
-rw-r--r-- root/root /usr/share/pymol/data/pymol/splash.png
-rw-r--r-- root/root /usr/share/pymol/data/setting_help.csv
-rw-r--r-- root/root /usr/share/pymol/data/shaders/anaglyph_header.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/bezier.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/bezier.tsc
-rw-r--r-- root/root /usr/share/pymol/data/shaders/bezier.tse
-rw-r--r-- root/root /usr/share/pymol/data/shaders/bezier.vs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/bg.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/bg.vs
-rw-r--r-- root/root
/usr/share/pymol/data/shaders/call_compute_color_for_light.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/compute_color_for_light.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/compute_fog_color.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/connector.fs
-rw-r--r-- root/root /usr/share/pymol/data/shaders/connector.gs
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------------------------------------------------
{+Depends: python3-pymol+}
Description: [-data files for PyMOL-] {+Molecular Graphics System+}
[-This package contains all-]
{+Features include:+}
{+ * Visualization of molecules, molecular trajectories and surfaces+}
{+ of crystallography+} data [-files for-] {+or orbitals+}
{+ * Molecular builder and sculptor+}
{+ * Internal raytracer and movie generator+}
{+ * Fully extensible and scriptable via a Python interface+}
{+ .+}
{+ File formats+} PyMOL [-package to reduce the-]
[- redundancy between architectures in Debian.-] {+can read include PDB, XYZ,
CIF, MDL Molfile, ChemDraw,+}
{+ CCP4 maps, XPLOR maps and Gaussian cube maps.+}
Installed-Size: [-6485-] {+223+}
[-Multi-Arch: foreign-]
Package: [-pymol-data-] {+pymol+}
{+Recommends: apbs+}
[-Source: pymol-]
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