ff1a94e523
The nixpkgs-unstable channel's programs.sqlite was used to identify packages producing exactly one binary, and these automatically added to their package definitions wherever possible.
65 lines
1.2 KiB
Nix
65 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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format = "setuptools";
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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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mainProgram = "potable";
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license = licenses.mit;
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maintainers = [ ];
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};
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}
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