{"name":"atompaw","portdir":"science/atompaw","version":"4.1.0.6","license":"GPL-3","platforms":"darwin","epoch":0,"replaced_by":null,"homepage":"http://users.wfu.edu/natalie/papers/pwpaw/man.html","description":"Software for generating PAW atomic datasets to be used by first-principle simulation codes","long_description":"ATOMPAW is a program to be used for the generation of atomic datasets needed by first-principles simulation software based on the Projector Augmented-Wave (PAW) approach, which computes the electronic structure of materials within the Density-Functional theory. ATOMPAW produces, for a given atomic species, a set of basis and projectors functions, as well as some additional atomic data stored in a PAW dataset (text file). PAW datasets can be written in a XML file (conforming to XML-PAW standard) or in several proprietary formats (ABINIT, SOCORRO, Quantum Espresso, ...).","active":true,"categories":["science"],"maintainers":[{"name":"cram5431","github":"mtorrent","ports_count":2}],"variants":["accelerate","atlas","openblas","g95","gcc10","gcc11","gcc12","gcc13","gccdevel","libxc"],"dependencies":[{"type":"build","ports":["clang-16","gcc13"]},{"type":"lib","ports":["vecLibFort","libgcc","libxc4"]}],"depends_on":[]}