diff options
Diffstat (limited to 'pkgs/development/python-modules/qcelemental/default.nix')
-rw-r--r-- | pkgs/development/python-modules/qcelemental/default.nix | 15 |
1 files changed, 11 insertions, 4 deletions
diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix index 7b12781ba16..59c8f47eea3 100644 --- a/pkgs/development/python-modules/qcelemental/default.nix +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -2,6 +2,7 @@ , buildPythonPackage , lib , fetchPypi +, poetry-core , networkx , numpy , pint @@ -12,16 +13,21 @@ buildPythonPackage rec { pname = "qcelemental"; - version = "0.25.1"; - format = "setuptools"; + version = "0.27.1"; + + pyproject = true; disabled = pythonOlder "3.7"; src = fetchPypi { inherit pname version; - hash = "sha256-4+DlP+BH0UdWcYRBBApdc3E18L2zPvsdY6GTW5WCGnQ="; + hash = "sha256-dlcfIUKAg6yc4S3RXVJ1sKM29E1ZvHY82kjx1CM8/08="; }; + nativeBuildInputs = [ + poetry-core + ]; + propagatedBuildInputs = [ networkx numpy @@ -40,7 +46,8 @@ buildPythonPackage rec { meta = with lib; { broken = stdenv.isDarwin; description = "Periodic table, physical constants and molecule parsing for quantum chemistry"; - homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/"; + homepage = "https://github.com/MolSSI/QCElemental"; + changelog = "https://github.com/MolSSI/QCElemental/blob/v${version}/docs/changelog.rst"; license = licenses.bsd3; maintainers = with maintainers; [ sheepforce ]; }; |