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Package "nwchem"

Name: nwchem

Description:

High-performance computational chemistry software

Latest version: 7.0.0-2
Release: focal (20.04)
Level: base
Repository: universe
Homepage: http://www.nwchem-sw.org

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Changelog

Version: 7.0.0-2 2020-04-28 21:55:16 UTC

  nwchem (7.0.0-2) unstable; urgency=medium

  * debian/patches/17_pspw_scalapack.patch: New patch, fixes PSPW with
    ScaLAPACK, by Edoardo Apra.
  * debian/patches/18_mcscf_scalapack.patch: New patch, fixes MCSCF with
    ScaLAPACK, by Edoardo Apra.
  * debian/rules (SCALAPACK_SIZE): New variable.
  * debian/control (Build-Depends): Bump required libarmci-mpi-dev version to
    0.3.1~beta.
  * debian/control (Build-Depends): Replaced python-dev with python3-dev
    (Closes: #937171).
  * debian/rules: Switch to python3 dh module.
  * debian/control (Build-Depends): Added dh-python.
  * debian/testsuite: Run pyqa3 test instead of pyqa, by Edoardo Apra.
  * debian/testsuite: Reactive test cases cosmo_h3co, dft_he2+ and qmmm_grad0.
  * debian/control (Build-Depends): Bump required libglobalarrays-dev version
    to 5.7.2-2.
  * debian/patches/16_disable_peigs.patch: Removed, no longer needed.

 -- Michael Banck <email address hidden> Sun, 08 Mar 2020 20:45:32 +0100

937171 nwchem: Python2 removal in sid/bullseye



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