diff --git a/pkgs/development/python-modules/pymatgen/default.nix b/pkgs/development/python-modules/pymatgen/default.nix new file mode 100644 index 00000000000..874f7bfa308 --- /dev/null +++ b/pkgs/development/python-modules/pymatgen/default.nix @@ -0,0 +1,25 @@ +{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas }: + +buildPythonPackage rec { + pname = "pymatgen"; + version = "2018.6.27"; + + src = fetchPypi { + inherit pname version; + sha256 = "8078af7fda4f9a07f1e389ffe08de3511213acdf9fb2ed9f9ffe89b9b12b8568"; + }; + + nativeBuildInputs = [ glibcLocales ]; + propagatedBuildInputs = [ numpy pydispatcher sympy requests monty ruamel_yaml six scipy tabulate enum34 matplotlib palettable spglib pandas ]; + + # No tests in pypi tarball. + doCheck = false; + + meta = with stdenv.lib; { + description = "A robust materials analysis code that defines core object representations for structures and molecules"; + homepage = http://pymatgen.org/; + license = licenses.mit; + maintainers = with maintainers; [ psyanticy ]; + }; +} + diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index f459dbb5f24..96203d95db3 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -424,6 +424,8 @@ in { }; pykerberos = callPackage ../development/python-modules/pykerberos { }; + + pymatgen = callPackage ../development/python-modules/pymatgen { }; pynisher = callPackage ../development/python-modules/pynisher { };