python3Packages.atomman: cleanup
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@@ -1,24 +1,31 @@
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{
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lib,
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buildPythonPackage,
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cython,
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datamodeldict,
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fetchFromGitHub,
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# build-system
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cython,
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numpy,
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setuptools,
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# dependencies
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datamodeldict,
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matplotlib,
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numericalunits,
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numpy,
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pandas,
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phonopy,
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potentials,
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pytestCheckHook,
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requests,
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scipy,
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setuptools,
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toolz,
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xmltodict,
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# tests
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phonopy,
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pytestCheckHook,
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}:
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buildPythonPackage rec {
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buildPythonPackage (finalAttrs: {
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pname = "atomman";
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version = "1.5.2";
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pyproject = true;
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@@ -26,14 +33,14 @@ buildPythonPackage rec {
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src = fetchFromGitHub {
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owner = "usnistgov";
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repo = "atomman";
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tag = "v${version}";
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tag = "v${finalAttrs.version}";
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hash = "sha256-UmvMYVM1YmLvSaVLzWHdxYpRU+Z3z65cy7mfmDZfDG0=";
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};
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build-system = [
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setuptools
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numpy
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cython
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numpy
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setuptools
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];
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dependencies = [
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@@ -65,16 +72,17 @@ buildPythonPackage rec {
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];
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disabledTests = [
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"test_unique_shifts_prototype" # needs network access to download database files
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# needs network access to download database files
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"test_unique_shifts_prototype"
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];
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pythonImportsCheck = [ "atomman" ];
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meta = {
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changelog = "https://github.com/usnistgov/atomman/blob/${src.rev}/UPDATES.rst";
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changelog = "https://github.com/usnistgov/atomman/blob/${finalAttrs.src.tag}/UPDATES.rst";
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description = "Atomistic Manipulation Toolkit";
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homepage = "https://github.com/usnistgov/atomman/";
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license = lib.licenses.mit;
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maintainers = [ ];
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};
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}
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})
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