3 Commits

Author	SHA1	Message	Date
David Elsing	2779928b9c	gnu: rdkit: Update to 2024.09.6. ... * gnu/packages/chemistry.scm (rdkit): Update to 2024.09.6. [arguments]: Disable more failing tests. [inputs]: Add pubchem-align3d. [native-inputs]: Replace boost with boost-numpy. Add python-pytest. * gnu/packages/patches/rdkit-unbundle-external-dependencies.patch: Adjust patch. Change-Id: I165ebfeaef1f9d4b8c659cfdac65b45b0bc90188 Signed-off-by: Andreas Enge <andreas@enge.fr>	2025-04-08 13:24:38 +02:00
David Elsing	e5bfc462dd	gnu: rdkit: Update to 2023.09.4. ... * gnu/packages/chemistry.scm (rdkit): Update to 2023.09.4. [arguments]: Skip testConrec test in check phase. [native-inputs]: Replace catch2 with catch2-3. * gnu/packages/patches/rdkit-unbundle-external-dependencies.patch: Adjust patch. [supported-systems]: New field. Signed-off-by: Christopher Baines <mail@cbaines.net>	2024-02-13 11:04:48 +00:00
David Elsing	18f95f9335	gnu: Add rdkit. ... * gnu/packages/chemistry.scm (rdkit): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>	2022-10-15 12:05:15 +02:00