python3Packages.symfc: 1.5.4 -> 1.6.0
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@@ -1,24 +1,31 @@
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{
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lib,
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stdenv,
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buildPythonPackage,
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fetchFromGitHub,
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# build-system
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setuptools,
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# dependencies
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numpy,
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scipy,
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spglib,
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# tests
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pytestCheckHook,
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}:
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buildPythonPackage rec {
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pname = "symfc";
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version = "1.5.4";
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version = "1.6.0";
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pyproject = true;
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src = fetchFromGitHub {
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owner = "symfc";
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repo = "symfc";
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tag = "v${version}";
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hash = "sha256-SGFKbOVi5cVw+8trXrSnO0v2obpJBZrj+7yXk7hK+1s=";
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hash = "sha256-YDVO1/vt30ZaBOTCaYBtr3fkcuJmPa8Eg72k3XWpacg=";
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};
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build-system = [
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@@ -31,14 +38,17 @@ buildPythonPackage rec {
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spglib
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];
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pythonImportsCheck = [
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"symfc"
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];
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pythonImportsCheck = [ "symfc" ];
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nativeCheckInputs = [
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pytestCheckHook
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];
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disabledTests = lib.optionals (stdenv.hostPlatform.isDarwin && stdenv.hostPlatform.isx86_64) [
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# assert (np.float64(0.5555555555555556) == 1.0 ± 1.0e-06
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"test_fc_basis_set_o3"
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];
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meta = {
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description = "Generate symmetrized force constants";
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homepage = "https://github.com/symfc/symfc";
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