Ubuntu
psi4 package

psi4 1:1.3.2-1 source package in Ubuntu

Changelog

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.

 -- Michael Banck <email address hidden>  Sun, 21 Jul 2019 09:54:10 -0300

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_1.3.2-1.dsc 2.2 KiB bcc4315b8d068538f815b0b817d1fb3ea6dd10ea19e69ae0518613b975befa86
psi4_1.3.2.orig.tar.gz 40.6 MiB ed76c67803b6420f35f57a6dd31c47108b9145b8c9fced5c94cdc179f6b5fbf3
psi4_1.3.2-1.debian.tar.xz 12.6 KiB d17e9f6bf4f288ff770883b8b1992f9a7c9d75a9d3c2efc53f543ee2ff565cb1

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