python3Packages.atomman: 1.4.3 -> 1.4.4

This commit is contained in:
Fabian Affolter 2022-04-01 22:53:08 +02:00
parent e07896c6c4
commit fbdd16809b

View file

@ -1,4 +1,5 @@
{ lib
, ase
, buildPythonPackage
, cython
, datamodeldict
@ -7,17 +8,19 @@
, numericalunits
, numpy
, pandas
, phonopy
, potentials
, pymatgen
, pytest
, pythonOlder
, requests
, scipy
, toolz
, xmltodict
, python
}:
buildPythonPackage rec {
version = "1.4.3";
version = "1.4.4";
pname = "atomman";
format = "setuptools";
@ -27,7 +30,7 @@ buildPythonPackage rec {
owner = "usnistgov";
repo = "atomman";
rev = "v${version}";
sha256 = "sha256-is47O59Pjrh9tPC1Y2+DVVcHbxmcjUOFOVGnNHuURoM=";
hash = "sha256-iLAB0KMtrTCyGpx+81QfHDPVDhq8OA6CDL/ipVRpyo0=";
};
propagatedBuildInputs = [
@ -38,19 +41,24 @@ buildPythonPackage rec {
numpy
pandas
potentials
requests
scipy
toolz
xmltodict
];
checkInputs = [
ase
phonopy
pymatgen
pytest
];
checkPhase = ''
# pytestCheckHook doesn't work
py.test tests -k "not test_rootdir and not test_version \
and not test_atomic_mass and not imageflags"
pytest tests -k "not test_rootdir and not test_version \
and not test_atomic_mass and not imageflags" \
--ignore tests/plot/test_interpolate.py
'';
pythonImportsCheck = [