[Debichem-devel] psi4_1.1-1_source.changes ACCEPTED into unstable
Debian FTP Masters
ftpmaster at ftp-master.debian.org
Sat Jan 6 22:19:47 UTC 2018
Accepted:
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Sat, 06 Jan 2018 22:59:28 +0100
Source: psi4
Binary: psi4 psi4-data
Architecture: source
Version: 1:1.1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel at lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck at debian.org>
Description:
psi4 - Quantum Chemical Program Suite
psi4-data - Quantum Chemical Program Suite (data files)
Changes:
psi4 (1:1.1-1) unstable; urgency=medium
.
* New upstream release. New features include:
+ RHF second derivatives
+ RHF-CCSD(T) gradients
+ RHF-CC2 gradients
+ X2C relativistic corrections
.
[ Michael Banck ]
* debian/watch: Updated.
* debian/control: Update description with new features.
* debian/control (Build-Depends): Added python-pybind11 and bumped required
libint-dev version to 1.2.0.
* debian/patches/relax_dmrg_caspt2_test.patch: Updated.
* debian/patches/libderiv_include_location.patch: New patch, includes the
libderiv.h header from its own directory.
* debian/patches/system_libint.patch,
debian/patches/default_data_directory.patch,
fix-cloud_sptheme-sphinx1.4.patch: Disabled for now.
Checksums-Sha1:
a12c5a81cf47662fc3d70d1184e05050812f9b46 2303 psi4_1.1-1.dsc
50816c1a30b3f125ec7b8ce358475cee164780ba 37873198 psi4_1.1.orig.tar.gz
e3e03d753301650e3e213ab6b8581210e0535890 9516 psi4_1.1-1.debian.tar.xz
54f9c4ab48cf13ae28077aeb8cf17a07bc59af95 12552 psi4_1.1-1_source.buildinfo
Checksums-Sha256:
655afb068af6befd797b27be582071f2fa3b27a4e2d3b7037c34155f79b762df 2303 psi4_1.1-1.dsc
2c0d9c999236f7b74ae9cb1ccadf40ba56b3ae7c34357d410b3b388bde4f5a36 37873198 psi4_1.1.orig.tar.gz
05cc661311a26cf49eb561b0e077bd57b0e8c273ea132b045df031cad0820598 9516 psi4_1.1-1.debian.tar.xz
b5f9ddb36ff4b12750b6ace33ac24b1ece27aa09028470ef70eae5d5cbf88e64 12552 psi4_1.1-1_source.buildinfo
Files:
761572928c27cc8c6c2fa5d774bfb67c 2303 science optional psi4_1.1-1.dsc
8f3ba9c71cc38c3bb85591a0a21b2c68 37873198 science optional psi4_1.1.orig.tar.gz
3a6fd61dbcbff6a250c6c50e0295b4dc 9516 science optional psi4_1.1-1.debian.tar.xz
6904d4913712eefd70f2f671a6dc4218 12552 science optional psi4_1.1-1_source.buildinfo
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