| Message ID | 20250330220421.24480-1-david.elsing@posteo.net |
|---|---|
| Headers |
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| Series | Update rdkit to 2024.09.6 | |
Message
David Elsing
March 30, 2025, 10:04 p.m. UTC
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(-)