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python3Packages.atomman: 1.4.3 -> 1.4.4
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1 changed files with 13 additions and 5 deletions
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@ -1,4 +1,5 @@
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{ lib
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, ase
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, buildPythonPackage
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, cython
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, datamodeldict
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@ -7,17 +8,19 @@
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, numericalunits
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, numpy
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, pandas
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, phonopy
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, potentials
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, pymatgen
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, pytest
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, pythonOlder
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, requests
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, scipy
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, toolz
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, xmltodict
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, python
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}:
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buildPythonPackage rec {
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version = "1.4.3";
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version = "1.4.4";
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pname = "atomman";
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format = "setuptools";
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@ -27,7 +30,7 @@ buildPythonPackage rec {
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owner = "usnistgov";
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repo = "atomman";
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rev = "v${version}";
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sha256 = "sha256-is47O59Pjrh9tPC1Y2+DVVcHbxmcjUOFOVGnNHuURoM=";
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hash = "sha256-iLAB0KMtrTCyGpx+81QfHDPVDhq8OA6CDL/ipVRpyo0=";
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};
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propagatedBuildInputs = [
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@ -38,19 +41,24 @@ buildPythonPackage rec {
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numpy
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pandas
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potentials
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requests
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scipy
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toolz
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xmltodict
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];
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checkInputs = [
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ase
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phonopy
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pymatgen
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pytest
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];
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checkPhase = ''
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# pytestCheckHook doesn't work
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py.test tests -k "not test_rootdir and not test_version \
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and not test_atomic_mass and not imageflags"
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pytest tests -k "not test_rootdir and not test_version \
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and not test_atomic_mass and not imageflags" \
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--ignore tests/plot/test_interpolate.py
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'';
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pythonImportsCheck = [
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