swendel/nixpkgs
1
0
Fork 0
mirror of https://github.com/SebastianWendel/nixpkgs.git synced 2024-09-21 12:59:04 +02:00
Code Issues Packages Projects Releases Wiki Activity

python3Packages.geometric: init at 0.9.7.2

Browse source
This commit is contained in:
Markus Kowalewski 2022-02-02 13:46:17 +01:00
parent c60feb2ef3
commit f53b32b059
No known key found for this signature in database
GPG key ID: D865C8A91D7025EB
2 changed files with 35 additions and 0 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

33
pkgs/development/python-modules/geometric/default.nix Normal file
View file

@ -0,0 +1,33 @@
{ buildPythonPackage, lib, fetchFromGitHub
, networkx, numpy, scipy, six
, pytestCheckHook
}:
buildPythonPackage rec {
pname = "geometric";
version = "0.9.7.2";
src = fetchFromGitHub {
owner = "leeping";
repo = "geomeTRIC";
rev = version;
hash = "sha256-QFpfY6tWqcda6AJT17YBEuwu/4DYPbIMJU1c9/gHjaA=";
};
propagatedBuildInputs = [
networkx
numpy
scipy
six
];
checkInputs = [ pytestCheckHook ];
meta = with lib; {
description = "Geometry optimization code for molecular structures";
homepage = "https://github.com/leeping/geomeTRIC";
license = [ licenses.bsd3 ];
maintainers = [ maintainers.markuskowa ];
};
}

2
pkgs/top-level/python-packages.nix
View file

@ -3193,6 +3193,8 @@ in {
geomet = callPackage ../development/python-modules/geomet { };
geometric = callPackage ../development/python-modules/geometric { };
geopandas = callPackage ../development/python-modules/geopandas { };
geopy = callPackage ../development/python-modules/geopy { };