Accepted psi4 1:1.3.2-1 (source) into unstable
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Hash: SHA256
Format: 1.8
Date: Sun, 21 Jul 2019 09:54:10 -0300
Source: psi4
Binary: psi4 psi4-data
Architecture: source
Version: 1:1.3.2-1
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 (1:1.3.2-1) unstable; urgency=medium
.
* New upstream release. New features include:
+ In-memory DFT collocation grids lowering the total cost of DFT by up to a
factor of two
+ RHF analytic dipole derivatives
* debian/patches/runtests_python3.patch: Refreshed.
* debian/patches/verbose_makefile.patch: Updated.
* debian/patches/relax_external_cmake_requirements.patch: Likewise.
* debian/patches/libxc_external.patch: Likewise.
* debian/patches/libderiv_include_location.patch: Removed, no longer needed.
* debian/patches/dfhelper_crash_fix.patch: Likewise.
* debian/patches/testsuite_32bit_memory.patch: Likewise.
* debian/control (Build-Depends): Add versioned dependency to libxc-dev
(4.2.3-1).
* debian/control (Build-Depends): Added python3-qcelemental.
* debian/compat: Bumped to 10.
* debian/patches/libint_external.patch: New patch, allows building with
external Libint.
* debian/TODO: Removed.
Checksums-Sha1:
5b387e2bb456a5465345c210a01f403e68fdc595 2297 psi4_1.3.2-1.dsc
1d7fcb0f3c2259669d227874cdcb90294ac19db5 42571002 psi4_1.3.2.orig.tar.gz
4133b23dbab003b95fc5b12287895d2b78627793 12940 psi4_1.3.2-1.debian.tar.xz
53ecee36ba29d0c1342c05db35948322275da3b6 9639 psi4_1.3.2-1_source.buildinfo
Checksums-Sha256:
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ed76c67803b6420f35f57a6dd31c47108b9145b8c9fced5c94cdc179f6b5fbf3 42571002 psi4_1.3.2.orig.tar.gz
d17e9f6bf4f288ff770883b8b1992f9a7c9d75a9d3c2efc53f543ee2ff565cb1 12940 psi4_1.3.2-1.debian.tar.xz
ed5783b413877be857770cb2bb3a8f69a92693af6e04006d0e9debaf5e0632f1 9639 psi4_1.3.2-1_source.buildinfo
Files:
2559802e30a7994a6b5fcba8dc907f42 2297 science optional psi4_1.3.2-1.dsc
2a9262ab5f4981381bc4ca7da8a6cae0 42571002 science optional psi4_1.3.2.orig.tar.gz
b008aacf61380fe8fb07f05ca91b6b55 12940 science optional psi4_1.3.2-1.debian.tar.xz
24ec444363762766cf7d095ad22d1249 9639 science optional psi4_1.3.2-1_source.buildinfo
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