python3Packages.castepxbin: init at 0.1.0

This commit is contained in:
Robert Schütz 2021-05-08 10:05:23 +02:00 committed by Jonathan Ringer
parent 726af289ce
commit e2cdb2fcc0
2 changed files with 39 additions and 0 deletions

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@ -0,0 +1,37 @@
{ lib
, buildPythonPackage
, fetchFromGitHub
, numpy
, scipy
, pymatgen
, pytestCheckHook
}:
buildPythonPackage rec {
pname = "castepxbin";
version = "0.1.0";
src = fetchFromGitHub {
owner = "zhubonan";
repo = "castepxbin";
rev = "v${version}";
sha256 = "16wnd1mwhl204d1s3har2fhyhyjg86sypg00bj812dxk8zixxszf";
};
propagatedBuildInputs = [
numpy
scipy
pymatgen
];
checkInputs = [
pytestCheckHook
];
meta = with lib; {
description = "A collection of readers for CASTEP binary outputs";
homepage = "https://github.com/zhubonan/castepxbin";
license = licenses.mit;
maintainers = with maintainers; [ dotlambda ];
};
}

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@ -1239,6 +1239,8 @@ in {
cassandra-driver = callPackage ../development/python-modules/cassandra-driver { }; cassandra-driver = callPackage ../development/python-modules/cassandra-driver { };
castepxbin = callPackage ../development/python-modules/castepxbin { };
casttube = callPackage ../development/python-modules/casttube { }; casttube = callPackage ../development/python-modules/casttube { };
catalogue = callPackage ../development/python-modules/catalogue { }; catalogue = callPackage ../development/python-modules/catalogue { };