python3Packages.pymatgen: 2022.2.7 -> 2022.3.29
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1 changed files with 14 additions and 10 deletions
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@ -1,6 +1,7 @@
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{ lib, buildPythonPackage, fetchFromGitHub
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{ lib
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, buildPythonPackage
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, fetchFromGitHub
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, cython
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, enum34
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, glibcLocales
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, matplotlib
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, monty
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@ -11,10 +12,10 @@
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, plotly
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, pybtex
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, pydispatcher
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, pythonOlder
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, requests
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, ruamel-yaml
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, scipy
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, six
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, spglib
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, sympy
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, tabulate
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@ -23,14 +24,16 @@
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buildPythonPackage rec {
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pname = "pymatgen";
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version = "2022.2.7";
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version = "2022.3.29";
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format = "setuptools";
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disabled = pythonOlder "3.8";
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# sdist doesn't include c files
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src = fetchFromGitHub {
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owner = "materialsproject";
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repo = "pymatgen";
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rev= "v${version}";
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sha256 = "sha256-92Dxmo1Z9LR2caSOftIf1I6jeZmqDe3SqhhoCofWraw=";
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hash = "sha256-B2piRWx9TfKlGTPOAAGsq2GxyfHIRBVFpk6dxES0WF0=";
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};
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nativeBuildInputs = [
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@ -39,7 +42,6 @@ buildPythonPackage rec {
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];
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propagatedBuildInputs = [
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enum34
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matplotlib
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monty
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networkx
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@ -52,16 +54,18 @@ buildPythonPackage rec {
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requests
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ruamel-yaml
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scipy
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six
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spglib
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sympy
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tabulate
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uncertainties
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];
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# No tests in pypi tarball.
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# Tests are not detected by pytest
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doCheck = false;
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pythonImportsCheck = [ "pymatgen" ];
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pythonImportsCheck = [
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"pymatgen"
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];
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meta = with lib; {
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description = "A robust materials analysis code that defines core object representations for structures and molecules";
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