49 lines
900 B
Nix
49 lines
900 B
Nix
{ lib, buildPythonPackage, fetchFromGitHub
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, pythonOlder
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, h5py
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, matplotlib
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, numpy
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, phonopy
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, pymatgen
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, scipy
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, seekpath
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, spglib
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, castepxbin
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, pytestCheckHook
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}:
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buildPythonPackage rec {
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pname = "sumo";
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version = "2.2.4";
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disabled = pythonOlder "3.6";
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# No tests in Pypi tarball
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src = fetchFromGitHub {
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owner = "SMTG-UCL";
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repo = "sumo";
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rev = "v${version}";
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sha256 = "051353gsxmh4qnabshfnc00mmzdbh1fgk1xdfnsfgcnijxgw25bb";
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};
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propagatedBuildInputs = [
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spglib
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numpy
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scipy
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h5py
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pymatgen
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phonopy
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matplotlib
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seekpath
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castepxbin
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];
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checkInputs = [ pytestCheckHook ];
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meta = with lib; {
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description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
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homepage = "https://github.com/SMTG-UCL/sumo";
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license = licenses.mit;
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maintainers = with maintainers; [ psyanticy ];
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};
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}
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