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Hash: SHA1
Format: 1.8
Date: Fri, 19 Feb 2016 08:27:43 +0100
Source: mpqc3
Binary: mpqc3 mpqc3-data
Architecture: source
Version: 0.0~git20160216-3
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
mpqc3 - Massively Parallel Quantum Chemistry Program
mpqc3-data - Massively Parallel Quantum Chemistry Program (data files)
Changes:
mpqc3 (0.0~git20160216-3) unstable; urgency=medium
.
* debian/patches/check_for_psio_purge.patch: Updated to properly cleanup
after psi3 computations.
* debian/patches/psi3_default_directory.patch: New patch, runs psiclean
executable from correct directory.
* debian/control (mpqc3/Description): Add MRCI-F12 to capabilities.
Checksums-Sha1:
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453b4ed9c7106196a901041769bc87b58149a20c 5396 mpqc3_0.0~git20160216-3.debian.tar.xz
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Files:
173d052e1122a5b7ee3bf633086eb611 2158 science optional mpqc3_0.0~git20160216-3.dsc
0aa5adf6725da61a021f26f392afa3ac 5396 science optional mpqc3_0.0~git20160216-3.debian.tar.xz
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