Pin further Chemformer dependencies to avoid torch
reinstallation
#108
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Recently, the CI stopped working, as
pip
-installingsyntheseus[all]
started triggering a reinstallation oftorch
, despite the fact that we explicitly set up the right version oftorch
in the base environment (defined inenvironment_full.yml
). A few weeks ago this was not the case (compare successful CI run two weeks ago vs failed one yesterday). This is caused bytorchmetrics
having been recently updated to 1.6.0; despite the fact thatsyntheseus-chemformer
pins itspytorch-lightning
dependency, the latter seemingly doesn't pintorchmetrics
, as we started getting the new version after it was released, which in turn is not compatible with the version oftorch
we use, prompting a reinstallation, and causing other dependencies (notablytorch-scatter
) to end up in a broken state. The solution here is to add a pin fortorchmetrics
, which I've done in thesyntheseus-chemformer
package and released as0.2.0
.