49 lines
1,008 B
Nix
49 lines
1,008 B
Nix
{ lib
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, buildPythonPackage
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, fetchPypi
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, configparser
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, pyparsing
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, pytest
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, future
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, openpyxl
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, wrapt
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}:
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buildPythonPackage rec {
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version = "0.4.0";
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pname = "atsim.potentials";
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src = fetchPypi {
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inherit pname version;
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sha256 = "0c3e4e2323e969880f17a9924642e0991be5761f50b254bcbadd046db3be6390";
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};
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checkInputs = [ pytest ];
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propagatedBuildInputs = [
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configparser
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future
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openpyxl
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pyparsing
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wrapt
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];
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postPatch = ''
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substituteInPlace setup.py \
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--replace "wrapt==1.11.2" "wrapt~=1.11"
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'';
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# tests are not included with release
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doCheck = false;
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checkPhase = ''
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py.test
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'';
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meta = with lib; {
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homepage = "https://github.com/mjdrushton/atsim-potentials";
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description = "Provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS";
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license = licenses.mit;
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maintainers = [ maintainers.costrouc ];
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broken = true; # missing cexprtk package
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};
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}
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