Your message dated Sun, 19 Jan 2020 20:55:38 +0000
with message-id <e1ithbe-00087m...@fasolo.debian.org>
and subject line Bug#949291: fixed in psi4 1:1.3.2-3
has caused the Debian Bug report #949291,
regarding psi4: Missing dependency to python3-qcelemental
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.

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immediately.)


-- 
949291: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=949291
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems
--- Begin Message ---
Package: psi4
Version: 1:1.3.2-2
Severity: grave
Justification: renders package unusable

Dear Maintainer,

when importing psi4 from ipython after installing the package, I am
greated with the output

```
---------------------------------------------------------------------------
ModuleNotFoundError                       Traceback (most recent call last)
<ipython-input-1-ae2916a96900> in <module>()
----> 1 import psi4

/usr/lib/x86_64-linux-gnu/psi4/__init__.py in <module>()
     80
     81 # Make official plugins accessible in input
---> 82 from .driver import endorsed_plugins
     83
     84 # Manage threads. Must be after endorsed plugins, honestly.

/usr/lib/x86_64-linux-gnu/psi4/driver/__init__.py in <module>()
     31 from . import dependency_check
     32
---> 33 from qcelemental import constants
     34 from psi4.driver import psifiles as psif
     35

ModuleNotFoundError: No module named 'qcelemental'
```

indicating that a dependency of `psi4` to `python3-qcelemental` is missing
in in unstable.

Best
Michael Herbst


-- System Information:
Debian Release: bullseye/sid
  APT prefers testing
  APT policy: (900, 'testing')
Architecture: amd64 (x86_64)

Kernel: Linux 5.3.0-3-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

Versions of packages psi4 depends on:
ii  libatlas3-base [liblapack.so.3]        3.10.3-9
ii  libblas3 [libblas.so.3]                3.9.0-1
ii  libc6                                  2.29-7
ii  libchemps2-3                           1.8.9-1+b2
ii  libgcc1                                1:9.2.1-22
ii  libgg2                                 2.0.4-1
ii  libgomp1                               9.2.1-22
ii  libint1                                1.2.1-2
ii  liblapack3 [liblapack.so.3]            3.9.0-1
ii  libopenblas0-pthread [liblapack.so.3]  0.3.7+ds-7
ii  libstdc++6                             9.2.1-22
ii  libxc5                                 4.3.4-1
ii  psi4-data                              1:1.3.2-2
ii  python3                                3.7.5-3
ii  python3-deepdiff                       3.3.0-1
ii  python3-networkx                       2.4-3
ii  python3-numpy                          1:1.17.4-5
ii  python3-pybind11                       2.4.3-2

psi4 recommends no packages.

psi4 suggests no packages.

-- no debconf information

--- End Message ---
--- Begin Message ---
Source: psi4
Source-Version: 1:1.3.2-3

We believe that the bug you reported is fixed in the latest version of
psi4, 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 949...@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Michael Banck <mba...@debian.org> (supplier of updated psi4 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: SHA256

Format: 1.8
Date: Sun, 19 Jan 2020 21:38:29 +0100
Source: psi4
Architecture: source
Version: 1:1.3.2-3
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-de...@lists.alioth.debian.org>
Changed-By: Michael Banck <mba...@debian.org>
Closes: 949291
Changes:
 psi4 (1:1.3.2-3) unstable; urgency=medium
 .
   * debian/control (psi4/Depends): Add python3-qcelemental (Closes: #949291).
Checksums-Sha1:
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 d60a0f690bb683054f89228916b9da6bc18e627c 13760 psi4_1.3.2-3.debian.tar.xz
 235a6ea92e2190d365113b37ce9e28fc96b59325 9846 psi4_1.3.2-3_source.buildinfo
Checksums-Sha256:
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psi4_1.3.2-3.dsc
 a82fca31ef993ed4a3510bdd26e63a20cbfd4d0fcc097518fe842a16d74e924e 13760 
psi4_1.3.2-3.debian.tar.xz
 e94edb5d21f8a0dc8a91db883268272f8a85a8f0967eff1a31c8505d2a0a1035 9846 
psi4_1.3.2-3_source.buildinfo
Files:
 28dd77db3bb55645bcd6f18f58c6439e 2310 science optional psi4_1.3.2-3.dsc
 e05cd2f0e2a78db9d9a3945e42075e15 13760 science optional 
psi4_1.3.2-3.debian.tar.xz
 15d103963c324750156ee4b12d538777 9846 science optional 
psi4_1.3.2-3_source.buildinfo

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--- End Message ---

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