67 lines
1.1 KiB
Nix
67 lines
1.1 KiB
Nix
{
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lib,
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buildPythonPackage,
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fetchFromGitHub,
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pythonOlder,
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setuptools,
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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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colormath,
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importlib-resources,
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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 = "2.3.12";
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pyproject = true;
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disabled = pythonOlder "3.8";
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src = fetchFromGitHub {
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owner = "SMTG-UCL";
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repo = "sumo";
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tag = "v${version}";
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hash = "sha256-OdoXcdLT/mTkSw/JOrpYjgvUiNLOnBI4avrjrXhzF3U=";
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};
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build-system = [
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setuptools
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];
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dependencies = [
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spglib
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numpy
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scipy
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h5py
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pymatgen
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phonopy
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matplotlib
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seekpath
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castepxbin
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colormath
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importlib-resources
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];
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nativeCheckInputs = [
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pytestCheckHook
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];
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pythonImportsCheck = [ "sumo" ];
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meta = {
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description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
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homepage = "https://github.com/SMTG-UCL/sumo";
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changelog = "https://github.com/SMTG-Bham/sumo/releases/tag/${src.tag}";
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license = lib.licenses.mit;
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maintainers = with lib.maintainers; [ psyanticy ];
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};
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}
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