nixpkgs/pkgs/development/python-modules/ase/default.nix
2021-07-03 12:04:28 +02:00

41 lines
783 B
Nix

{ lib
, fetchPypi
, buildPythonPackage
, isPy27
, numpy
, scipy
, matplotlib
, flask
, pillow
, psycopg2
}:
buildPythonPackage rec {
pname = "ase";
version = "3.22.0";
disabled = isPy27;
src = fetchPypi {
inherit pname version;
sha256 = "sha256-5gJZx7UIZ7HLgXyvk4/MHtODcCQT320uGv5+oH9lrO4=";
};
propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];
checkPhase = ''
$out/bin/ase test
'';
# tests just hang most likely due to something with subprocesses and cli
doCheck = false;
pythonImportsCheck = [ "ase" ];
meta = with lib; {
description = "Atomic Simulation Environment";
homepage = "https://wiki.fysik.dtu.dk/ase/";
license = licenses.lgpl21Plus;
maintainers = with maintainers; [ costrouc ];
};
}