Files
nixpkgs/pkgs/development/python-modules/atsim_potentials/default.nix
Guillaume Girol 33afbf39f6 treewide: switch to nativeCheckInputs
checkInputs used to be added to nativeBuildInputs. Now we have
nativeCheckInputs to do that instead. Doing this treewide change allows
to keep hashes identical to before the introduction of
nativeCheckInputs.
2023-01-21 12:00:00 +00:00

63 lines
1.2 KiB
Nix

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