diff options
Diffstat (limited to 'nixpkgs/pkgs/development/python-modules/atomman/default.nix')
-rw-r--r-- | nixpkgs/pkgs/development/python-modules/atomman/default.nix | 47 |
1 files changed, 37 insertions, 10 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/atomman/default.nix b/nixpkgs/pkgs/development/python-modules/atomman/default.nix index b576504588aa..7f5b08fd4fe3 100644 --- a/nixpkgs/pkgs/development/python-modules/atomman/default.nix +++ b/nixpkgs/pkgs/development/python-modules/atomman/default.nix @@ -1,39 +1,66 @@ -{ lib, buildPythonPackage, fetchFromGitHub, isPy27 +{ lib +, buildPythonPackage , cython , datamodeldict +, fetchFromGitHub , matplotlib , numericalunits , numpy , pandas +, potentials , pytest +, pythonOlder , scipy , toolz , xmltodict +, python }: buildPythonPackage rec { - version = "1.3.0"; + version = "1.4.3"; pname = "atomman"; - disabled = isPy27; + format = "setuptools"; + + disabled = pythonOlder "3.6"; src = fetchFromGitHub { owner = "usnistgov"; - repo = "atomman"; + repo = "atomman"; rev = "v${version}"; - sha256 = "09pfykd96wmw00s3kgabghykjn8b4yjml4ybpi7kwy7ygdmzcx51"; + sha256 = "sha256-is47O59Pjrh9tPC1Y2+DVVcHbxmcjUOFOVGnNHuURoM="; }; - checkInputs = [ pytest ]; - propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits toolz ]; + propagatedBuildInputs = [ + cython + datamodeldict + matplotlib + numericalunits + numpy + pandas + potentials + scipy + toolz + xmltodict + ]; + + checkInputs = [ + pytest + ]; checkPhase = '' - py.test tests -k 'not test_atomic' + # pytestCheckHook doesn't work + py.test tests -k "not test_rootdir and not test_version \ + and not test_atomic_mass and not imageflags" ''; + pythonImportsCheck = [ + "atomman" + ]; + meta = with lib; { - homepage = "https://github.com/usnistgov/atomman/"; description = "Atomistic Manipulation Toolkit"; + homepage = "https://github.com/usnistgov/atomman/"; license = licenses.mit; - maintainers = [ maintainers.costrouc ]; + maintainers = with maintainers; [ costrouc ]; }; } |