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python3Packages.pymatgen: 2022.2.7 -> 2022.3.29

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This commit is contained in:
Fabian Affolter 2022-04-01 22:37:18 +02:00
parent 0d4b3dc12d
commit e07896c6c4
1 changed files with 14 additions and 10 deletions
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24
pkgs/development/python-modules/pymatgen/default.nix
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@ -1,6 +1,7 @@
{ lib, buildPythonPackage, fetchFromGitHub { lib
, buildPythonPackage
, fetchFromGitHub
, cython , cython
, enum34
, glibcLocales , glibcLocales
, matplotlib , matplotlib
, monty , monty
@ -11,10 +12,10 @@
, plotly , plotly
, pybtex , pybtex
, pydispatcher , pydispatcher
, pythonOlder
, requests , requests
, ruamel-yaml , ruamel-yaml
, scipy , scipy
, six
, spglib , spglib
, sympy , sympy
, tabulate , tabulate
@ -23,14 +24,16 @@
buildPythonPackage rec { buildPythonPackage rec {
pname = "pymatgen"; pname = "pymatgen";
version = "2022.2.7"; version = "2022.3.29";
format = "setuptools";
disabled = pythonOlder "3.8";
# sdist doesn't include c files
src = fetchFromGitHub { src = fetchFromGitHub {
owner = "materialsproject"; owner = "materialsproject";
repo = "pymatgen"; repo = "pymatgen";
rev= "v${version}"; rev= "v${version}";
sha256 = "sha256-92Dxmo1Z9LR2caSOftIf1I6jeZmqDe3SqhhoCofWraw="; hash = "sha256-B2piRWx9TfKlGTPOAAGsq2GxyfHIRBVFpk6dxES0WF0=";
}; };
nativeBuildInputs = [ nativeBuildInputs = [
@ -39,7 +42,6 @@ buildPythonPackage rec {
]; ];
propagatedBuildInputs = [ propagatedBuildInputs = [
enum34
matplotlib matplotlib
monty monty
networkx networkx
@ -52,16 +54,18 @@ buildPythonPackage rec {
requests requests
ruamel-yaml ruamel-yaml
scipy scipy
six
spglib spglib
sympy sympy
tabulate tabulate
uncertainties uncertainties
]; ];
# No tests in pypi tarball. # Tests are not detected by pytest
doCheck = false; doCheck = false;
pythonImportsCheck = [ "pymatgen" ];
pythonImportsCheck = [
"pymatgen"
];
meta = with lib; { meta = with lib; {
description = "A robust materials analysis code that defines core object representations for structures and molecules"; description = "A robust materials analysis code that defines core object representations for structures and molecules";