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A tool for generating atomic pseudopotentials within a Density-Functional Theory framework.

APE (Atomic Pseudopotentials Engine) is a computer package designed to generate and test norm-conserving pseudo-potentials within Density Functional Theory. The generated pseudo-potentials can be either non-relativistic, scalar relativistic or fully relativistic and can explicitly include semi-core states. A wide range of exchange-correlation functionals is included. APE can generate pseudopotential files for use with SIESTA, Abinit, Octopus, and Quantum Espresso.

Version: 2.3.1 License: GPL-2+

GitHub

Maintainers	dstrubbe
Categories	science
Homepage	http://www.tddft.org/programs/APE
Platforms	darwin
Variants	gcc10 (Build using the MacPorts gcc 10 compiler) gcc11 (Build using the MacPorts gcc 11 compiler) gcc5 (Build using the MacPorts gcc 5 compiler) gcc6 (Build using the MacPorts gcc 6 compiler) gcc7 (Build using the MacPorts gcc 7 compiler) gcc8 (Build using the MacPorts gcc 8 compiler) gcc9 (Build using the MacPorts gcc 9 compiler) gccdevel (Build using the MacPorts gcc devel compiler) gfortran (Build using the MacPorts gcc 11 Fortran compiler)

"ape" depends on

lib (3)

gsl

libgcc

libxc4

build (2)

clang-9.0

gcc11

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ape seems to have been updated (port version: 2.3.1, new version: 2.3.2)

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