2022-02-10 20:34:41 +00:00
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{ lib, buildPythonPackage, fetchFromGitHub
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, cython
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2020-12-07 07:45:13 +00:00
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, enum34
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, glibcLocales
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, matplotlib
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, monty
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, networkx
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, numpy
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, palettable
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, pandas
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, plotly
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2022-02-10 20:34:41 +00:00
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, pybtex
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2020-12-07 07:45:13 +00:00
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, pydispatcher
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, requests
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2021-12-06 16:07:01 +00:00
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, ruamel-yaml
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2020-12-07 07:45:13 +00:00
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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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2020-04-24 23:36:52 +00:00
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buildPythonPackage rec {
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pname = "pymatgen";
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2022-02-10 20:34:41 +00:00
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version = "2022.2.7";
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2020-04-24 23:36:52 +00:00
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2022-02-10 20:34:41 +00:00
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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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2020-04-24 23:36:52 +00:00
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};
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2022-02-10 20:34:41 +00:00
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nativeBuildInputs = [
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cython
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glibcLocales
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];
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2020-07-18 16:06:22 +00:00
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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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numpy
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palettable
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pandas
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plotly
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2022-02-10 20:34:41 +00:00
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pybtex
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2020-07-18 16:06:22 +00:00
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pydispatcher
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requests
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2021-12-06 16:07:01 +00:00
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ruamel-yaml
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2020-07-18 16:06:22 +00:00
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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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2020-12-07 07:45:13 +00:00
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uncertainties
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2020-07-18 16:06:22 +00:00
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];
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2020-04-24 23:36:52 +00:00
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# No tests in pypi tarball.
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doCheck = false;
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2021-02-17 17:02:09 +00:00
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pythonImportsCheck = [ "pymatgen" ];
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2020-04-24 23:36:52 +00:00
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2021-01-15 22:18:51 +00:00
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meta = with lib; {
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2020-04-24 23:36:52 +00:00
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description = "A robust materials analysis code that defines core object representations for structures and molecules";
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homepage = "https://pymatgen.org/";
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license = licenses.mit;
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maintainers = with maintainers; [ psyanticy ];
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};
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}
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