forked from mirrors/nixpkgs
32 lines
711 B
Nix
32 lines
711 B
Nix
|
{ lib
|
||
|
|
, fetchurl
|
||
|
|
, buildPythonPackage
|
||
|
|
, pymatgen
|
||
|
|
, lammps
|
||
|
|
, pytestrunner
|
||
|
|
, pytest
|
||
|
|
, isPy3k
|
||
|
|
}:
|
||
|
|
|
||
|
|
buildPythonPackage rec {
|
||
|
|
pname = "pymatgen-lammps";
|
||
|
|
version = "0.4.5";
|
||
|
|
disabled = (!isPy3k);
|
||
|
|
|
||
|
|
src = fetchurl {
|
||
|
|
url = "https://gitlab.com/costrouc/${pname}/-/archive/v${version}/${pname}-v${version}.tar.gz";
|
||
|
|
sha256 = "0shldl8is3195jmji7dr3zsh1bzxlahaqrmpr28niks7nnfj80fx";
|
||
|
|
};
|
||
|
|
|
||
|
|
buildInputs = [ pytestrunner ];
|
||
|
|
checkInputs = [ pytest ];
|
||
|
|
propagatedBuildInputs = [ pymatgen ];
|
||
|
|
|
||
|
|
meta = {
|
||
|
|
description = "A LAMMPS wrapper using pymatgen";
|
||
|
|
homepage = https://gitlab.com/costrouc/pymatgen-lammps;
|
||
|
|
license = lib.licenses.mit;
|
||
|
|
maintainers = with lib.maintainers; [ costrouc ];
|
||
|
|
};
|
||
|
|
}
|