MACLAS dataset has been constructed by coupling the elemental and mineral information of (n =1243 samples) from 52 sites in Portugal and Spain in a chronological span from 5th to 3rd millennium BC. Each data point is described by a vector of 45 independent variables with the elemental concentrations expressed in atomic percentages obtained by p-XRF associated with a single categorical mineral label obtained by XRD as the dependent variable. This resource, result of a project spanning more than a decade, has been made possible by the hard work, collaborative spirit and open-science vision of many researchers.