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@ -1,6 +1,7 @@ |
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{ lib, buildPythonPackage, fetchFromGitHub |
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{ lib |
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, buildPythonPackage |
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, fetchFromGitHub |
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, cython |
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, enum34 |
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, glibcLocales |
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, matplotlib |
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, monty |
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@ -11,10 +12,10 @@ |
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, plotly |
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, pybtex |
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, pydispatcher |
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, pythonOlder |
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, requests |
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, ruamel-yaml |
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, scipy |
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, six |
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, spglib |
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, sympy |
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, tabulate |
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@ -23,14 +24,16 @@ |
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buildPythonPackage rec { |
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pname = "pymatgen"; |
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version = "2022.2.7"; |
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version = "2022.3.29"; |
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format = "setuptools"; |
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disabled = pythonOlder "3.8"; |
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# sdist doesn't include c files |
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src = fetchFromGitHub { |
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owner = "materialsproject"; |
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repo = "pymatgen"; |
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rev= "v${version}"; |
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sha256 = "sha256-92Dxmo1Z9LR2caSOftIf1I6jeZmqDe3SqhhoCofWraw="; |
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hash = "sha256-B2piRWx9TfKlGTPOAAGsq2GxyfHIRBVFpk6dxES0WF0="; |
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}; |
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nativeBuildInputs = [ |
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@ -39,7 +42,6 @@ buildPythonPackage rec { |
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]; |
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propagatedBuildInputs = [ |
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enum34 |
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matplotlib |
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monty |
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networkx |
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@ -52,16 +54,18 @@ buildPythonPackage rec { |
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requests |
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ruamel-yaml |
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scipy |
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six |
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spglib |
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sympy |
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tabulate |
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uncertainties |
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]; |
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# No tests in pypi tarball. |
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# Tests are not detected by pytest |
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doCheck = false; |
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pythonImportsCheck = [ "pymatgen" ]; |
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pythonImportsCheck = [ |
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"pymatgen" |
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]; |
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meta = with lib; { |
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description = "A robust materials analysis code that defines core object representations for structures and molecules"; |
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