40 lines
802 B
Nix
40 lines
802 B
Nix
{
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lib,
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buildPythonPackage,
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fetchFromGitHub,
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flit-core,
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numpy,
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scipy,
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pytestCheckHook,
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}:
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buildPythonPackage rec {
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pname = "castepxbin";
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version = "0.3.1";
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pyproject = true;
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src = fetchFromGitHub {
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owner = "zhubonan";
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repo = "castepxbin";
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tag = "v${version}";
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hash = "sha256-M+OoKr9ODIp47gt64hf47A1PblyZpBzulKI7nEm8hdo=";
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};
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build-system = [ flit-core ];
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dependencies = [
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numpy
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scipy
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];
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nativeCheckInputs = [ pytestCheckHook ];
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meta = {
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changelog = "https://github.com/zhubonan/castepxbin/releases/tag/${src.tag}";
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description = "Collection of readers for CASTEP binary outputs";
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homepage = "https://github.com/zhubonan/castepxbin";
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license = lib.licenses.mit;
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maintainers = with lib.maintainers; [ dotlambda ];
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};
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}
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