Something went wrong. Try again.
What happens if I push all of nixpkgs
Something went wrong. Try again.
1.6 kB · 83 lines
Nix
123456789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354555657585960616263646566676869707172737475767778798081828384{ lib, buildPythonPackage, cython, datamodeldict, fetchFromGitHub, matplotlib, numericalunits, numpy, pandas, phonopy, potentials, pytestCheckHook, pythonOlder, requests, scipy, setuptools, toolz, xmltodict,}:
buildPythonPackage rec { pname = "atomman"; version = "1.5.0"; pyproject = true;
disabled = pythonOlder "3.8";
src = fetchFromGitHub { owner = "usnistgov"; repo = "atomman"; tag = "v${version}"; hash = "sha256-NFv811grKNZcC5RrC371k0kK/pPYLg3V0cnr+gX7Cnw="; };
build-system = [ setuptools numpy cython ];
dependencies = [ datamodeldict matplotlib numericalunits numpy pandas potentials requests scipy toolz xmltodict ];
pythonRelaxDeps = [ "atomman" ];
preCheck = '' # By default, pytestCheckHook imports atomman from the current directory # instead of from where `pip` installs it and fails due to missing Cython # modules. Fix this by removing atomman from the current directory. # rm -r atomman '';
nativeCheckInputs = [ phonopy pytestCheckHook ];
disabledTests = [ "test_unique_shifts_prototype" # needs network access to download database files ];
pythonImportsCheck = [ "atomman" ];
meta = with lib; { changelog = "https://github.com/usnistgov/atomman/blob/${src.rev}/UPDATES.rst"; description = "Atomistic Manipulation Toolkit"; homepage = "https://github.com/usnistgov/atomman/"; license = licenses.mit; maintainers = [ ]; };}