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Graphium 3.0 introduces graphium_cpp, a subpackage that leverages more performant C++ code. graphium_cpp relies on a handful of packages with one of them being rdkit. In numerous files within graphium_cpp, there are file imports that require the rdkit package.
Description
It appears that versions of rdkit later than 2024.03.4 do not include some files which are being imported by graphium_cpp.
Example error on version 2024.3.6 of rdkit:
./features.h:16:10: fatal error: 'GraphMol/ROMol.h' file not found
#include <GraphMol/ROMol.h>
It would be ideal to understand why this occurs and if necessary, update graphium_cpp such that it is compatible with later versions of the package.
Acceptance Criteria
Versions of rdkit later than 2024.03.4 can be used to build graphium_cpp
The text was updated successfully, but these errors were encountered:
Context
Graphium 3.0 introduces
graphium_cpp
, a subpackage that leverages more performant C++ code.graphium_cpp
relies on a handful of packages with one of them beingrdkit
. In numerous files withingraphium_cpp
, there are file imports that require therdkit
package.Description
It appears that versions of
rdkit
later than2024.03.4
do not include some files which are being imported bygraphium_cpp
.Example error on version
2024.3.6
ofrdkit
:It would be ideal to understand why this occurs and if necessary, update
graphium_cpp
such that it is compatible with later versions of the package.Acceptance Criteria
rdkit
later than2024.03.4
can be used to buildgraphium_cpp
The text was updated successfully, but these errors were encountered: