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Digichem version 7.4.4 for Debian-Buster

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@oliver-s-lee oliver-s-lee released this 17 Feb 04:25
· 220 commits to main since this release

Automated build of Digichem v7.4.4 for the Debian-Buster system

Bundled with:

digichem-core: 7.3.0
basis_set_exchange: v0.9
cclib: 1.8.1.build
mako: 1.3.5
matplotlib: 3.9.2
openprattle: 1.1.2
pillow: 10.4.0
pyscf: 2.11.0
pysoc: 2.5.0
pyyaml: 6.0.2
rdkit: 2025.09.2
scipy: 1.13.1
urwid: 2.6.15
weasyprint: 62.3

Changes in this version (7.4.4) since 7.4.3

Bugfixes:

  • [%as:]: fixed failing to parse Orca Censo calculations with solvents
  • [%as:]: builds for CentOS-7.9 no longer have batoms (which is unavailable) set as the default rendering engine
  • [%as:]: added missing stderr redirect for PBS

Documentation changes:

  • [%as:]: reordered docs for easier readability
  • [%as:]: added documentation for Justus 2

Miscellaneous:

  • [%as:]: update last modified
  • [%as:]: fixed using wrong digichem-core version in workflows
  • [%as:]: bumped version to 7.4.4
  • [%as:]: added missing apt-get update
  • [%as:]: updated lingering copyright references to 2025
  • [%as:]: added missing apt-get update from workflows
  • [%as:]: bumped version to 7.4.3

Built by the hard-working Build-boy.