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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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