Something went wrong. Try again.
What happens if I push all of nixpkgs
Something went wrong. Try again.
1.6 kB · 90 lines
Nix
12345678910111213141516171819202122232425262728293031323334353637383940414243444546474849505152535455565758596061626364656667686970717273747576777879808182838485868788899091{ lib, ase, buildPythonPackage, cython, datamodeldict, fetchFromGitHub, matplotlib, numericalunits, numpy, pandas, phonopy, potentials, pymatgen, pytestCheckHook, pythonOlder, requests, scipy, setuptools, toolz, wheel, xmltodict, pythonRelaxDepsHook}:
buildPythonPackage rec { version = "unstable-2023-07-28"; pname = "atomman"; format = "pyproject";
disabled = pythonOlder "3.7";
src = fetchFromGitHub { owner = "usnistgov"; repo = "atomman"; rev = "b8af21a9285959d38ee26173081db1b4488401bc"; hash = "sha256-WfB+OY61IPprT6OCVHl8VA60p7lLVkRGuyYX+nm7bbA="; };
nativeBuildInputs = [ setuptools wheel pythonRelaxDepsHook ];
propagatedBuildInputs = [ cython datamodeldict matplotlib numericalunits numpy pandas potentials requests scipy toolz xmltodict ];
pythonRelaxDeps = [ "potentials" ];
preCheck = '' # By default, pytestCheckHook imports atomman from the current directory # instead of from where `pip` installs it and fails due to missing Cython # modules. Fix this by removing atomman from the current directory. # rm -r atomman '';
nativeCheckInputs = [ ase phonopy pymatgen pytestCheckHook ];
disabledTests = [ "test_unique_shifts_prototype" # needs network access to download database files ];
pythonImportsCheck = [ "atomman" ];
meta = with lib; { description = "Atomistic Manipulation Toolkit"; homepage = "https://github.com/usnistgov/atomman/"; license = licenses.mit; maintainers = with maintainers; [ ]; };}