The library HCPS consists of human, cyber system and physical system. To study the connotation of HCPS and the relationship between each component is helpful to find out the direction for the development of library. Through the analysis of the characteristics of early libraries, modern libraries and smart libraries, the HCPS theory is introduced into libraries, the evolution process of libraries is discussed based on the HCPS perspective, the characteristics and functions of HCPS in different stages of libraries are analyzed, the research framework and key research contents of HCPS in smart libraries are proposed, the enabling technologies that promote the development of libraries are analyzed, and the practical application and discussion of HCPS in smart libraries are carried out. The introduction and development of cyber systems have helped the development of libraries, and the key to establish HCPS in smart libraries is to carry out the research on the establishment and simulation methods of cyber system models. The application of HCPS in library is explored for the first time, and the concept and research framework proposed are still in the exploratory stage. Extensive interdisciplinary cooperation and exchanges are needed to enrich and refine the research content, methods and techniques of HCPS in library.