{ lib , fetchPypi , buildPythonPackage , isPy27 , numpy , scipy , matplotlib , flask , pillow , psycopg2 }: buildPythonPackage rec { pname = "ase"; version = "3.19.0"; disabled = isPy27; src = fetchPypi { inherit pname version; sha256 = "a8378ab57e91cfe1ba09b3639d8409bb7fc1a40b59479c7822d206e673ad93f9"; }; 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 = with lib; { description = "Atomic Simulation Environment"; homepage = https://wiki.fysik.dtu.dk/ase/; license = licenses.lgpl21Plus; maintainers = with maintainers; [ costrouc ]; }; }