forked from mirrors/nixpkgs
50 lines
1,018 B
Nix
50 lines
1,018 B
Nix
{ 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
|
|
};
|
|
}
|