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python3Packages.sumo: 2.2.1 -> 2.2.4

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Robert Schütz 2021-05-08 10:06:20 +02:00 committed by Jonathan Ringer
parent e2cdb2fcc0
commit 497084577e
1 changed files with 20 additions and 13 deletions
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33
pkgs/development/python-modules/sumo/default.nix
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@ -1,37 +1,44 @@
{ lib, buildPythonPackage, fetchFromGitHub, isPy27
{ lib, buildPythonPackage, fetchFromGitHub
, pythonOlder
, h5py
, matplotlib
, numpy
, phonopy
, pymatgen
, pytest
, scipy
, seekpath
, spglib
, castepxbin
, pytestCheckHook
}:
buildPythonPackage rec {
pname = "sumo";
version = "2.2.1";
version = "2.2.4";
disabled = pythonOlder "3.6";
# No tests in Pypi tarball
src = fetchFromGitHub {
owner = "SMTG-UCL";
repo = "sumo";
rev = "v${version}";
sha256 = "0r88f5w33h9b0mv7shlqc4przwvas5ycgndvl91wqjnm3b2s3ix0";
sha256 = "051353gsxmh4qnabshfnc00mmzdbh1fgk1xdfnsfgcnijxgw25bb";
};
propagatedBuildInputs = [ numpy scipy spglib pymatgen h5py matplotlib seekpath phonopy ];
propagatedBuildInputs = [
spglib
numpy
scipy
h5py
pymatgen
phonopy
matplotlib
seekpath
castepxbin
];
checkInputs = [ pytest ];
checkPhase = ''
pytest .
'';
# tests have type annotations, can only run on 3.5+
doCheck = (!isPy27);
checkInputs = [ pytestCheckHook ];
meta = with lib; {
description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";