GNU bug report logs - #77394
[PATCH 0/5] Update rdkit to 2024.09.6

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Package: guix-patches;

Reported by: David Elsing <david.elsing <at> posteo.net>

Date: Sun, 30 Mar 2025 22:05:02 UTC

Severity: normal

Tags: patch

Done: Andreas Enge <andreas <at> enge.fr>

Bug is archived. No further changes may be made.

Full log

Message #5 received at submit <at> debbugs.gnu.org (full text, mbox):

From: David Elsing <david.elsing <at> posteo.net>
To: guix-patches <at> gnu.org
Cc: David Elsing <david.elsing <at> posteo.net>
Subject: [PATCH 0/5] Update rdkit to 2024.09.6
Date: Sun, 30 Mar 2025 22:04:10 +0000

This patch series updates rdkit and some of its dependencies.
The build now depends on the CMake files of the NumPy extension of
Boost.Python and rdkit depends on python-numpy anyway, so I added a package
variant of boost with it enabled.

David Elsing (5):
  gnu: inchi: Update to 1.07.3.
  gnu: yaehmop: Update to 2024.03.1.
  gnu: Add boost-with-numpy.
  gnu: Add pubchem-align3d.
  gnu: rdkit: Update to 2024.09.6.

 gnu/packages/boost.scm                        |   8 +
 gnu/packages/chemistry.scm                    | 186 +++++++++++-------
 ...rdkit-unbundle-external-dependencies.patch | 183 +++++++++++++++--
 3 files changed, 291 insertions(+), 86 deletions(-)

-- 
2.48.1
This bug report was last modified 39 days ago.

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