[Debichem-devel] Bug#949291: psi4: Missing dependency to python3-qcelemental

[Michael F. Herbst]

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