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Hash: SHA256
Format: 1.8
Date: Sun, 08 Mar 2020 20:45:32 +0100
Source: nwchem
Architecture: source
Version: 7.0.0-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-de...@lists.alioth.debian.org>
Changed-By: Michael Banck <mba...@debian.org>
Closes: 937171
Changes:
nwchem (7.0.0-2) unstable; urgency=medium
.
* debian/patches/17_pspw_scalapack.patch: New patch, fixes PSPW with
ScaLAPACK, by Edoardo Apra.
* debian/patches/18_mcscf_scalapack.patch: New patch, fixes MCSCF with
ScaLAPACK, by Edoardo Apra.
* debian/rules (SCALAPACK_SIZE): New variable.
* debian/control (Build-Depends): Bump required libarmci-mpi-dev version to
0.3.1~beta.
* debian/control (Build-Depends): Replaced python-dev with python3-dev
(Closes: #937171).
* debian/rules: Switch to python3 dh module.
* debian/control (Build-Depends): Added dh-python.
* debian/testsuite: Run pyqa3 test instead of pyqa, by Edoardo Apra.
* debian/testsuite: Reactive test cases cosmo_h3co, dft_he2+ and qmmm_grad0.
* debian/control (Build-Depends): Bump required libglobalarrays-dev version
to 5.7.2-2.
* debian/patches/16_disable_peigs.patch: Removed, no longer needed.
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