Selfhosted
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Fantastic suggestion and thanks for the post, very clear! I played with NixOS some time ago but I totally missed this capability. Fits quite well my use case, thanks! And I found this extension that could make things easier: https://marketplace.visualstudio.com/items?itemName=arrterian.nix-env-selector
Another thing you can look into is apptainer/singularity. Basically portable container binaries. Executing the binary automatically runs a program/drops you into a shell inside the container with your $HOME mounted inside. Stuff like cuda also work as long as your host system has appropriate drivers.
You can also port docker containers to apptainer directly via cli.