id = "nwchem" name = "NWChem" homepage = "https://nwchemgit.github.io" description = "High-performance computational chemistry tools." executables = ["nwchem"] [dotfiles] # NWChem's official Getting Started guide says each user should have a # ~/.nwchemrc file for default basis-set, pseudopotential and MD-library data. # https://github.com/nwchemgit/nwchem/wiki/Getting-Started # https://nwchemgit.github.io/nwchemusermanual.pdf paths = ["~/.nwchemrc"] secret = []