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The macOS style rule starting with Big Sur says that the icon must be square and generally when a previous transparent design is adapted, the frame is usually white. This is the case of the new icons for Safari, Photos, etc.
When applying this rule to the Calibre icon, the Calibre initialization window looks strange (as I showed in the screenshot) because this window is designed for a transparent icon. If the icon has a white frame, that frame is wrapped in another larger brown frame.
The intermediate solution I have found is not to add the white background box to the icon, but at least reduce the size of the image so that it is more similar to the one in macOS. All macOS icons are 1024x1024, but they have a transparent border and the drawing area is smaller (usually 860x860).
The current Calibre icon is 1024x1024 but the drawing area is 920x920, which is why it looks larger than the rest of the macOS icons. I've reduced the image to 860x860 but kept the full size of 1024x1024 when the transparent frame is added.
I'm attaching the Calibre icon I made (calibre.icns) and the image for the resources folder (library.png) in case it's useful to anyone.
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