63 lines
1.2 KiB
Nix
63 lines
1.2 KiB
Nix
{ lib
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, buildPythonPackage
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, fetchFromGitHub
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, configparser
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, pyparsing
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, pytestCheckHook
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, future
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, openpyxl
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, wrapt
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, scipy
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, cexprtk
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, deepdiff
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, sympy
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}:
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buildPythonPackage rec {
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version = "0.4.1";
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pname = "atsim-potentials";
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src = fetchFromGitHub {
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owner = "mjdrushton";
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repo = pname;
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rev = "refs/tags/${version}";
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hash = "sha256-G7lNqwEUwAT0f7M2nUTCxpXOAl6FWKlh7tcsvbur1eM=";
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};
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postPatch = ''
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# Remove conflicting openpyxl dependency version check
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sed -i '/openpyxl==2.6.4/d' setup.py
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'';
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propagatedBuildInputs = [
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cexprtk
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configparser
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future
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openpyxl
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pyparsing
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scipy
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sympy
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wrapt
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];
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nativeCheckInputs = [
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deepdiff
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pytestCheckHook
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];
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disabledTests = [
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# Missing lammps executable
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"eam_tabulate_example2TestCase"
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"test_pymath"
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];
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pythonImportsCheck = [ "atsim.potentials" ];
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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 = [ ];
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};
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}
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