GNU bug report logs - #58261
[PATCH 00/11] Add rdkit.

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Package: guix-patches;

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

Date: Mon, 3 Oct 2022 00:06:02 UTC

Severity: normal

Tags: patch

Done: Liliana Marie Prikler <liliana.prikler <at> gmail.com>

Bug is archived. No further changes may be made.

Full log

Message #203 received at 58261 <at> debbugs.gnu.org (full text, mbox):

From: David Elsing <david.elsing <at> posteo.net>
To: 58261 <at> debbugs.gnu.org
Cc: David Elsing <david.elsing <at> posteo.net>
Subject: [PATCH v3 00/15] Add rdkit v3.
Date: Thu, 13 Oct 2022 21:04:09 +0000

Thanks again for your comments! Here is the next version. :)
Now all packages were reproducible again after two rounds.

David Elsing (15):
  gnu: Add fast-float.
  gnu: Add pocketfft-cpp.
  gnu: Add sajson.
  gnu: Add cbehave.
  gnu: Add tinydir.
  gnu: Add optionparser.
  gnu: Add sajson-for-gemmi.
  gnu: Add gemmi.
  gnu: Add freesasa.
  gnu: Add maeparser.
  gnu: Add coordgenlibs.
  gnu: Add yaehmop.
  gnu: Add avalon-toolkit.
  gnu: Add ringdecomposerlib.
  gnu: Add rdkit.

 gnu/packages/check.scm                        |  56 ++
 gnu/packages/chemistry.scm                    | 686 ++++++++++++++++++
 gnu/packages/cpp.scm                          | 228 ++++++
 .../patches/gemmi-fix-pegtl-usage.patch       |  31 +
 .../patches/gemmi-fix-sajson-types.patch      |  11 +
 .../pocketfft-cpp-default-disable-simd.patch  | 108 +++
 ...rdkit-unbundle-external-dependencies.patch | 384 ++++++++++
 .../patches/sajson-build-with-gcc10.patch     |  45 ++
 .../sajson-for-gemmi-numbers-as-strings.patch | 195 +++++
 .../patches/tinydir-fix-cbehave-test.patch    |  16 +
 10 files changed, 1760 insertions(+)
 create mode 100644 gnu/packages/patches/gemmi-fix-pegtl-usage.patch
 create mode 100644 gnu/packages/patches/gemmi-fix-sajson-types.patch
 create mode 100644 gnu/packages/patches/pocketfft-cpp-default-disable-simd.patch
 create mode 100644 gnu/packages/patches/rdkit-unbundle-external-dependencies.patch
 create mode 100644 gnu/packages/patches/sajson-build-with-gcc10.patch
 create mode 100644 gnu/packages/patches/sajson-for-gemmi-numbers-as-strings.patch
 create mode 100644 gnu/packages/patches/tinydir-fix-cbehave-test.patch

-- 
2.37.0
This bug report was last modified 2 years and 275 days ago.

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