The "system-label" of a siesta calculation determines the name of the files produced by the code (except the output file). For instance the files containing the bands and the DOS are named respectively system-labe.bands, system-labe.DOS. So far "system-label" was hard coded to be "aiida" for any siesta calculation run through aiida_siesta. Moreover its value was not stored anywhere. Now a keyword "prefix" is added to the "metadata.options" (with default value "aiida") and its value determines the "system-label" of the siesta calculation. This allows, in case (but not suggested), to modify through aiida the "system-label", and, more importantly, this value is stored as an attribute of the SiestaCalculation, making easier the post process of siesta produced files through aiida plugins (see the STM plugin as an example).
Also, a modification in the spec.input of some metadata.option is introduced. In fact some standards (like metadata.options.inputfile_name) are inherited from CalcJob. Therefore there is no need to redefine them, a change in the default is sufficient.
The "system-label" of a siesta calculation determines the name of the files produced by the code (except the output file). For instance the files containing the bands and the DOS are named respectively system-labe.bands, system-labe.DOS. So far "system-label" was hard coded to be "aiida" for any siesta calculation run through aiida_siesta. Moreover its value was not stored anywhere. Now a keyword "prefix" is added to the "metadata.options" (with default value "aiida") and its value determines the "system-label" of the siesta calculation. This allows, in case (but not suggested), to modify through aiida the "system-label", and, more importantly, this value is stored as an attribute of the SiestaCalculation, making easier the post process of siesta produced files through aiida plugins (see the STM plugin as an example). Also, a modification in the spec.input of some metadata.option is introduced. In fact some standards (like metadata.options.inputfile_name) are inherited from CalcJob. Therefore there is no need to redefine them, a change in the default is sufficient.