diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix index 7d1dcdeb1c7b..3a3e9bced050 100644 --- a/pkgs/development/python-modules/qcelemental/default.nix +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -1,34 +1,19 @@ -{ buildPythonPackage, lib, fetchPypi, fetchpatch, numpy +{ buildPythonPackage, lib, fetchPypi, numpy , pydantic, pint, networkx, pytestrunner, pytestcov, pytest } : buildPythonPackage rec { pname = "qcelemental"; - version = "0.20.0"; + version = "0.21.0"; checkInputs = [ pytestrunner pytestcov pytest ]; propagatedBuildInputs = [ numpy pydantic pint networkx ]; src = fetchPypi { inherit pname version; - sha256 = "141vw36fmacj897q26kq2bl9l0d23lyqjfry6q46aa9087dcs7ni"; + sha256 = "1b3c78fxbpnddrm1fnbvv4x2840jcfjg2l5cb5w4p38vzksiv238"; }; - # FIXME: Fixed upstream but not released yet. Nevertheless critical for correct behaviour. - # See https://github.com/MolSSI/QCElemental/pull/265 - patches = [ - (fetchpatch { - name = "SearchPath1.patch"; - url = "https://github.com/MolSSI/QCElemental/commit/2211a4e59690bcb14265a60f199a5efe74fe44db.diff"; - sha256 = "1ibjvmdrc103jdj79xrr11y5yji5hc966rm4ihfhfzgbvfkbjg2l"; - }) - (fetchpatch { - name = "SearchPath2.patch"; - url = "https://github.com/MolSSI/QCElemental/commit/5a32ce33e8142047b0a00d0036621fe2750e872a.diff"; - sha256 = "0gmg70vdps7k6alqclwdlxkli9d8s1fphbdvyl8wy8xrh46jw6rk"; - }) - ]; - doCheck = true; meta = with lib; {