IUPAC-InChI / InChI

Main InChI repository
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Run tests against external datasets #16

Open JanCBrammer opened 2 months ago

JanCBrammer commented 2 months ago

We have a somewhat "hacky" solution that requires editing a source file. Instead, we want to enable configuring external datasets with a separate / external config file (e.g., .yml). See https://utcc.utoronto.ca/~cks/space/blog/programming/ConfigureNoSourceCodeChanges and https://pretalx.com/pyconde-pydata-2024/talk/RGWDCN/.

Also distribute Docker image (build from https://github.com/IUPAC-InChI/InChI/blob/main/INCHI-1-TEST/Dockerfile).