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[bug#58261] [PATCH v3 00/15] Add rdkit v3.
From: |
David Elsing |
Subject: |
[bug#58261] [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
- [bug#58261] [PATCH 05/11] gnu: Add optionparser., (continued)
- [bug#58261] [PATCH v2 00/13] Add rdkit v2., David Elsing, 2022/10/07
- [bug#58261] [PATCH v3 02/15] gnu: Add pocketfft-cpp., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 01/15] gnu: Add fast-float., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 06/15] gnu: Add optionparser., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 05/15] gnu: Add tinydir., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 03/15] gnu: Add sajson., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 04/15] gnu: Add cbehave., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 07/15] gnu: Add sajson-for-gemmi., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 14/15] gnu: Add ringdecomposerlib., David Elsing, 2022/10/13