-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Sat, 05 Jan 2019 15:45:33 +0100
Source: psi4
Binary: psi4 psi4-data
Architecture: source
Version: 1:1.2.1-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
psi4 - Quantum Chemical Program Suite
psi4-data - Quantum Chemical Program Suite (data files)
Changes:
psi4 (1:1.2.1-2) unstable; urgency=medium
.
* debian/control (Standards-Version): Bumped to 4.3.0.
* debian/control (Build-Depends): Added python3-networkx.
* debian/control (psi4/Depends): Added python3 runtime modules
python3-deepdiff, python3-numpy, python3-networkx and python3-pybind11.
* debian/control (Build-Depends): Removed Boost libraries, no longer needed.
* debian/patches/libxc_external.patch: Remove WPBE functional from dft-smoke
test, as it is not available.
* debian/rules (override_dh_auto_configure) Removed MAX_AM_ERI from CMake
definitions.
* debian/patches/dfhelper_crash_fix.patch: New patch, fixes segfaults in
DFHelper::transform, taken from upstream commit e286fcebf.
* debian/patches/testsuite_32bit_memory.patch: New patch, avoids memory
allocations above 2GB for 32bit architectures.
* debian/tests: Added autopkgtests based on upstream's `smoketest' target.
Checksums-Sha1:
3626132b8bc7bd10fe20d1e54b36ae1bfe55343c 2263 psi4_1.2.1-2.dsc
443065b8fe0d2d740b468028a3f6804979d092ed 13904 psi4_1.2.1-2.debian.tar.xz
a925ae9ae5599780dc6fe9c3b33477921f5c7197 9215 psi4_1.2.1-2_source.buildinfo
Checksums-Sha256:
5db07cdfa79281866bed73910a33ea5a0f88288cadc20f04859402ddc754124c 2263 psi4_1.2.1-2.dsc
edc5abf1f2d9da54a22d8cbae42f14cecf1f05e6e796d2a79644ad21fd0842e7 13904 psi4_1.2.1-2.debian.tar.xz
4b1a5d7949a1823d0619570aff265c5babe92d731f14ef0bc10fe4279367ed77 9215 psi4_1.2.1-2_source.buildinfo
Files:
6cc303f4701a1791ba33c9ac4b5e63f5 2263 science optional psi4_1.2.1-2.dsc
1edf517ac990bb9b11a17b4e55547ae7 13904 science optional psi4_1.2.1-2.debian.tar.xz
f9a63cbbf6706c0cc155e8f4d9749cb2 9215 science optional psi4_1.2.1-2_source.buildinfo
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