[Debichem-devel] nwchem_7.2.0-1exp1_source.changes ACCEPTED into experimental
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Accepted:
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Fri, 29 Sep 2023 11:57:34 +0200
Source: nwchem
Architecture: source
Version: 7.2.0-1exp1
Distribution: experimental
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Drew Parsons <dparsons at debian.org>
Closes: 998401
Changes:
nwchem (7.2.0-1exp1) experimental; urgency=medium
.
* New upstream release
- applies debian patch fix_py310_6384013.diff
- Build-Depends: bc
* add Drew Parsons as uploader
* convert debian/copyright to machine-readable format.
Still licensed under the Educational Community License, Version 2.0
* maintain local copy of DFT-D3 source at debian/dftd3/dftd3.tgz
(GPL licence). The nwchem build normally downloads dftd3 at build
time, but internet access is forbidden at build-time by Debian
policy, hence a local copy is needed. Used by NWPW (XC)
i.e. src/nwpw/nwpwlib/nwpwxc
Downloaded from
https://www.chemiebn.uni-bonn.de/pctc/mulliken-center/software/dft-d3/
DFT-D3 status documented in debian/README.source.
* lintian fixes
- drop -X-Python-Version and Build-Depends: autotools-dev
from debian/control
- use dpkg-architecture conditionally (?=) in debian/rules
- fix GPL-3 entry in debian/copyright
- update lintian overrides (nwchem-data)
* drop Build-Depends: csh and convert debian/testsuite to bash.
Some scripts in the source tarball still use csh, but not the ones
used by the debian build (e.g. QA/runtests.mpi.unix)
Thanks Edoardo Apra. Closes: #998401.
* debian patch test_ch5n_nbo_Issue864.patch patches the ch5n_nbo test
with DIRECT to enable the SCF energy to pass tolerance (otherwise
the energy differs by 1e-5 Hartree). See upstream Issue #864.
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Files:
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