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pythonPackages.pymatgen:init at 2018.6.27

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Assassinkin 2018-07-11 18:26:31 +01:00
parent 1e1cf4f18c
commit 791d50fd3f
2 changed files with 27 additions and 0 deletions
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25
pkgs/development/python-modules/pymatgen/default.nix Normal file
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@ -0,0 +1,25 @@
{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas }:
buildPythonPackage rec {
pname = "pymatgen";
version = "2018.6.27";
src = fetchPypi {
inherit pname version;
sha256 = "8078af7fda4f9a07f1e389ffe08de3511213acdf9fb2ed9f9ffe89b9b12b8568";
};
nativeBuildInputs = [ glibcLocales ];
propagatedBuildInputs = [ numpy pydispatcher sympy requests monty ruamel_yaml six scipy tabulate enum34 matplotlib palettable spglib pandas ];
# No tests in pypi tarball.
doCheck = false;
meta = with stdenv.lib; {
description = "A robust materials analysis code that defines core object representations for structures and molecules";
homepage = http://pymatgen.org/;
license = licenses.mit;
maintainers = with maintainers; [ psyanticy ];
};
}

2
pkgs/top-level/python-packages.nix
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@ -425,6 +425,8 @@ in {
pykerberos = callPackage ../development/python-modules/pykerberos { };
pymatgen = callPackage ../development/python-modules/pymatgen { };
pynisher = callPackage ../development/python-modules/pynisher { };
pyparser = callPackage ../development/python-modules/pyparser { };