diff --git a/pkgs/development/python-modules/sumo/default.nix b/pkgs/development/python-modules/sumo/default.nix new file mode 100644 index 000000000000..1b82f1a40105 --- /dev/null +++ b/pkgs/development/python-modules/sumo/default.nix @@ -0,0 +1,24 @@ +{ stdenv, buildPythonPackage, fetchFromGitHub, numpy, scipy, spglib, pymatgen, h5py, matplotlib, seekpath, phonopy }: + +buildPythonPackage rec { + pname = "sumo"; + version = "1.0.9"; + + # No tests in Pypi tarball + src = fetchFromGitHub { + owner = "SMTG-UCL"; + repo = "sumo"; + rev = "v${version}"; + sha256 = "1zw86qp9ycw2k0anw6pzvwgd3zds0z2cwy0s663zhiv9mnb5hx1n"; + }; + + propagatedBuildInputs = [ numpy scipy spglib pymatgen h5py matplotlib seekpath phonopy ]; + + meta = with stdenv.lib; { + description = "Toolkit for plotting and analysis of ab initio solid-state calculation data"; + homepage = https://github.com/SMTG-UCL/sumo; + license = licenses.mit; + maintainers = with maintainers; [ psyanticy ]; + }; +} + diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index 96203d95db38..b17ba083a147 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -503,6 +503,8 @@ in { spglib = callPackage ../development/python-modules/spglib { }; + sumo = callPackage ../development/python-modules/sumo { }; + supervise_api = callPackage ../development/python-modules/supervise_api { }; syncserver = callPackage ../development/python-modules/syncserver {};