44 lines
1010 B
Nix
44 lines
1010 B
Nix
{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas, plotly, networkx }:
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buildPythonPackage rec {
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pname = "pymatgen";
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version = "2020.11.11";
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src = fetchPypi {
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inherit pname version;
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sha256 = "2c51c2c8862ea0d59346114f43be9e65ea134ed5b2bbd8dae766c4f6b02f5e3c";
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};
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nativeBuildInputs = [ glibcLocales ];
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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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pydispatcher
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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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];
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# No tests in pypi tarball.
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doCheck = false;
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meta = with stdenv.lib; {
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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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