CLI: block family cutoffs set for established families #134
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One of the motivations of having dedicated and automated CLI commands to install established pseudpotential families like the SSSP or the Pseudo-dojo normconserving pseudopotentials is to try and prevent that the pseudopotentials or recommended cutoffs deviate from the official ones. However, the `family cutoffs set` command currently allows the user to change the recommended cutoffs easily through the CLI. In order to prevent this, we block usage of the command for `SsspFamily` and `PseudoDojoFamily`'s, by adding an `exclude` input argument to the `PseudoPotentialFamilyParam`, where the entry points of the classes that should be disallowed can be provided. This is then used to adapt the option decorator for the `PSEUDO_POTENTIAL_FAMILY` input argument of `family cutoffs set`. Note that the user _can_ still install e.g. the SSSP with their own recommended cutoffs using the `install family` command as a `CutoffsPseudoPotentialFamily`. However, the `SsspFamily` class is reserved for pseudopotentials installed with the automated install command.
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sphuber
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Oct 10, 2022
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Beautiful, all good, thanks @mbercx |
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One of the motivations of having dedicated and automated CLI commands to install established pseudpotential families like the SSSP or the Pseudo-dojo normconserving pseudopotentials is to try and prevent that the pseudopotentials or recommended cutoffs deviate from the official ones. However, the
family cutoffs setcommand currently allows the user to change the recommended cutoffs easily through the CLI.In order to prevent this, we block usage of the command for
SsspFamilyandPseudoDojoFamily's, by adding anexcludeinput argument to thePseudoPotentialFamilyParam, where the entry points of the classes that should be disallowed can be provided. This is then used to adapt the option decorator for thePSEUDO_POTENTIAL_FAMILYinput argument offamily cutoffs set.Note that the user can still install e.g. the SSSP with their own recommended cutoffs using the
install familycommand as aCutoffsPseudoPotentialFamily. However, theSsspFamilyclass is reserved for pseudopotentials installed with the automated install command.