34 lines
843 B
Nix
34 lines
843 B
Nix
{ lib
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, fetchurl
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, buildPythonPackage
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, pymatgen
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, pytest-runner
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, pytestCheckHook
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, isPy3k
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}:
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buildPythonPackage rec {
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pname = "pymatgen-lammps";
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version = "0.4.5";
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disabled = !isPy3k;
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src = fetchurl {
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url = "https://gitlab.com/costrouc/${pname}/-/archive/v${version}/${pname}-v${version}.tar.gz";
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sha256 = "0shldl8is3195jmji7dr3zsh1bzxlahaqrmpr28niks7nnfj80fx";
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};
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buildInputs = [ pytest-runner ];
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nativeCheckInputs = [ pytestCheckHook ];
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propagatedBuildInputs = [ pymatgen ];
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pythonImportsCheck = [ "pmg_lammps" ];
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meta = {
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description = "A LAMMPS wrapper using pymatgen";
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homepage = "https://gitlab.com/costrouc/pymatgen-lammps";
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license = lib.licenses.mit;
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maintainers = with lib.maintainers; [ costrouc ];
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# not compatible with recent versions of pymatgen
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broken = true;
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};
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}
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