diff options
Diffstat (limited to 'pkgs/development/python-modules/qcelemental/default.nix')
-rw-r--r-- | pkgs/development/python-modules/qcelemental/default.nix | 25 |
1 files changed, 17 insertions, 8 deletions
diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix index c0992e98251..0f1aa5cee7a 100644 --- a/pkgs/development/python-modules/qcelemental/default.nix +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -1,26 +1,35 @@ -{ buildPythonPackage, lib, fetchPypi, numpy -, pydantic, pint, networkx, pytest-runner, pytest-cov, pytest +{ buildPythonPackage, lib, fetchPypi +, networkx +, numpy +, pint +, pydantic +, pytestCheckHook } : buildPythonPackage rec { pname = "qcelemental"; - version = "0.23.0"; - - checkInputs = [ pytest-runner pytest-cov pytest ]; - propagatedBuildInputs = [ numpy pydantic pint networkx ]; + version = "0.24.0"; src = fetchPypi { inherit pname version; - sha256 = "642bc86ce937621ddfb1291cbff0851be16b26feb5eec562296999e36181cee3"; + sha256 = "sha256-XcsR89tu26EG5AcXqmndkESLGWZ8eKmTkjaLziosawE="; }; + propagatedBuildInputs = [ + numpy + pydantic + pint + networkx + ]; + + checkInputs = [ pytestCheckHook ]; + doCheck = true; meta = with lib; { description = "Periodic table, physical constants, and molecule parsing for quantum chemistry"; homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/"; license = licenses.bsd3; - platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; } |