-----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@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 (1:1.1-1) 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 -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEnKh3dJ+rLk+paGLs3GhqJ7Q0gbAFAlpRRwsACgkQ3GhqJ7Q0 gbBT6w/+J7EvCBvmf8JNvvVfb+GU0VREAoSjwFBk9krhWwxWorFcYKzKUlqboq80 WqBwz6UpzSkXnw02mVV0qOk5lVTUqa2Z0ctIAVkPG6DlkJuvnqAIrHeG2WlJP+W9 f0rKlVsB4Ojgtvq0ML6IYF6rnE0TeC/3lJsy9d0wlq+fNjTETmPyLTWpj9PEp1hI vfaFion4NNJb7UyO6FO1PxCyeEGcNuJvpww+vL9Qy4bes8Adey5Z17PPf2UnRzsu T8r357xs1LuiP6R9Yb/ku94LUvMuZZKyeZcY8/LuA5EFYiig6jo2JsF0c8BOCXwx hPm65r9Pu68apvEkXsd+U92/Fvegg0R3MRZLOlnwxi1zSzDQi3amxkmZEm0M6UM5 TSLUYPtguzcpGRKIz7H9iFBiu04AHOyACNuLY5kFPE4U2ehfA92QnwlPLOTT+ej1 BSYw16pZowEqiPtqSnQ4n4twWt9RKAcaU3DnfAsRT74tlcGgWMa06XDed0b1jfGy WbQl5AkLXOLiOkSqlhaWCdQlqt0/a6bEGQ6l3Tl30VhN48qVRl/3JxjEmkl/oy9Y uN1ywYgyHcJO2WCb7TGUqtoHev1m3SfW0CJHzLuydRK3ldq5GKvnLf0YpnGu0TR4 9GfyxHi6TS+TE8/Nda+ZIeURaGo9IElR0SkU8cUuGLjtl4U4RG4= =IvOK -----END PGP SIGNATURE-----