[Debichem-devel] Bug#733861: Upstream provider changed - FMCS now part of RDKit

Daniel Leidert dleidert at debian.org
Sat Feb 16 12:08:42 GMT 2019


Source: fmcs
Version: 1.0-1
Followup-For: Bug #733861

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The last released version at [1] of fmcs is 1.1. This version does not compile
with Python 3 due to this error

> Writing /tmp/fmcs-1.1/debian/tmp/usr/lib/python3.7/dist-packages/fmcs-1.1.egg-info
>   File "/usr/lib/python3.7/dist-packages/fmcs.py", line 1887
>     def get_bond_ring_score((bond_index, bond), atoms=mol.atoms):
>                            ^
> SyntaxError: invalid syntax

and [2]. This issue seems to have already been fixed in the rdkit copy [3].

[1] https://bitbucket.org/dalke/fmcs
[2] https://www.python.org/dev/peps/pep-3113/
[3] https://github.com/rdkit/rdkit/blob/master/rdkit/Chem/fmcs/fmcs.py#L1934

- -- System Information:
Debian Release: buster/sid
  APT prefers unstable
  APT policy: (990, 'unstable'), (500, 'unstable-debug'), (500, 'testing'), (500, 'stable')
Architecture: amd64 (x86_64)

Kernel: Linux 4.19.0-3-amd64 (SMP w/4 CPU cores)
Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8), LANGUAGE=de_DE.UTF-8 (charmap=UTF-8)
Shell: /bin/sh linked to /bin/dash
Init: systemd (via /run/systemd/system)
LSM: AppArmor: enabled

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