forked from mirrors/nixpkgs
4716facdd1
- tests just hang so skipping tests - python 2.7, 3+ - repository is in gitlab so had to fetchurl
37 lines
786 B
Nix
37 lines
786 B
Nix
{ lib
|
|
, fetchurl
|
|
, buildPythonPackage
|
|
, numpy
|
|
, scipy
|
|
, matplotlib
|
|
, flask
|
|
, pillow
|
|
, psycopg2
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
version = "3.16.2";
|
|
pname = "ase";
|
|
|
|
src = fetchurl {
|
|
url = "https://gitlab.com/${pname}/${pname}/-/archive/${version}/${pname}-${version}.tar.gz";
|
|
sha256 = "171j3f4a261cfnqjq98px5fldxql65i3jgf60wc945xvh0mbc8ds";
|
|
};
|
|
|
|
propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];
|
|
|
|
checkPhase = ''
|
|
$out/bin/ase test
|
|
'';
|
|
|
|
# tests just hang most likely due to something with subprocesses and cli
|
|
doCheck = false;
|
|
|
|
meta = {
|
|
description = "Atomic Simulation Environment";
|
|
homepage = https://wiki.fysik.dtu.dk/ase/;
|
|
license = lib.licenses.lgpl21Plus;
|
|
maintainers = with lib.maintainers; [ costrouc ];
|
|
};
|
|
}
|