Ubuntu
psi4 package

psi4 1:1.1-1 source package in Ubuntu

Changelog

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.

 -- Michael Banck <email address hidden>  Sat, 06 Jan 2018 22:59:28 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
psi4_1.1-1.dsc 2.2 KiB 655afb068af6befd797b27be582071f2fa3b27a4e2d3b7037c34155f79b762df
psi4_1.1.orig.tar.gz 36.1 MiB 2c0d9c999236f7b74ae9cb1ccadf40ba56b3ae7c34357d410b3b388bde4f5a36
psi4_1.1-1.debian.tar.xz 9.3 KiB 05cc661311a26cf49eb561b0e077bd57b0e8c273ea132b045df031cad0820598

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