Source: openmx Maintainer: Debian Science Team Uploaders: Innocent De Marchi Section: science Priority: optional Build-Depends: debhelper (>= 11~), gfortran, libblas-dev, libfftw3-dev, liblapack-dev, mpi-default-dev Standards-Version: 4.1.4 Vcs-Browser: https://salsa.debian.org/science-team/openmx Vcs-Git: https://salsa.debian.org/science-team/openmx.git Homepage: http://www.openmx-square.org/ Package: openmx Architecture: any Depends: ${misc:Depends}, ${shlibs:Depends} Recommends: openmx-data Description: package for nano-scale material simulations OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors. Package: openmx-data Architecture: all Multi-Arch: foreign Depends: ${misc:Depends} Description: package for nano-scale material simulations (data) OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors. . This package contains the 2013 database of fully relativistic pseudopotentials (VPS) and pseudo-atomic orbitals (PAO), generated by ADPACK.