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{ stdenv
, buildPythonPackage
, fetchPypi
, configparser
, pyparsing
, pytest
, future
, openpyxl
, wrapt
}:
buildPythonPackage rec {
version = "0.3.0";
pname = "atsim.potentials";
src = fetchPypi {
inherit pname version;
sha256 = "70082fc40b0ab7565a671c2d764fe3db08bc6ce45da44e1c1e8b77a65d1f7a23";
};
checkInputs = [ pytest ];
propagatedBuildInputs = [
configparser
future
openpyxl
pyparsing
wrapt
];
postPatch = ''
substituteInPlace setup.py \
--replace "wrapt==1.11.2" "wrapt~=1.11"
'';
# tests are not included with release
doCheck = false;
checkPhase = ''
py.test
'';
meta = with stdenv.lib; {
homepage = "https://github.com/mjdrushton/atsim-potentials";
description = "Provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS";
license = licenses.mit;
maintainers = [ maintainers.costrouc ];
broken = true; # missing cexprtk package
};
}
|
