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Diffstat (limited to 'pkgs/development/python-modules/dftfit/default.nix')
-rw-r--r-- | pkgs/development/python-modules/dftfit/default.nix | 52 |
1 files changed, 0 insertions, 52 deletions
diff --git a/pkgs/development/python-modules/dftfit/default.nix b/pkgs/development/python-modules/dftfit/default.nix deleted file mode 100644 index 778b8c3d984..00000000000 --- a/pkgs/development/python-modules/dftfit/default.nix +++ /dev/null @@ -1,52 +0,0 @@ -{ lib -, fetchPypi -, buildPythonPackage -, pymatgen -, marshmallow -, pyyaml -, pygmo -, pandas -, scipy -, numpy -, scikit-learn -, lammps-cython -, pymatgen-lammps -, pytestrunner -, isPy3k -}: - -buildPythonPackage rec { - pname = "dftfit"; - version = "0.5.1"; - disabled = (!isPy3k); - - src = fetchPypi { - inherit pname version; - sha256 = "4dcbde48948835dcf2d49d6628c9df5747a8ec505d517e374b8d6c7fe95892df"; - }; - - buildInputs = [ pytestrunner ]; - propagatedBuildInputs = [ - pymatgen - marshmallow - pyyaml - pygmo - pandas - scipy - numpy - scikit-learn - lammps-cython - pymatgen-lammps - ]; - - # tests require git lfs download. and is quite large so skip tests - doCheck = false; - pythonImportsCheck = [ "dftfit" ]; - - meta = { - description = "Ab-Initio Molecular Dynamics Potential Development"; - homepage = "https://gitlab.com/costrouc/dftfit"; - license = lib.licenses.mit; - maintainers = with lib.maintainers; [ costrouc ]; - }; -} |