diff options
-rw-r--r-- | pkgs/development/python-modules/boltztrap2/default.nix | 43 | ||||
-rw-r--r-- | pkgs/top-level/python-packages.nix | 2 |
2 files changed, 45 insertions, 0 deletions
diff --git a/pkgs/development/python-modules/boltztrap2/default.nix b/pkgs/development/python-modules/boltztrap2/default.nix new file mode 100644 index 000000000000..56036fc97b34 --- /dev/null +++ b/pkgs/development/python-modules/boltztrap2/default.nix @@ -0,0 +1,43 @@ +{ stdenv +, buildPythonPackage +, fetchPypi +, spglib +, numpy +, scipy +, matplotlib +, ase +, netcdf4 +, pytest +, pythonOlder +, cython +, cmake +}: + +buildPythonPackage rec { + version = "18.9.1"; + pname = "BoltzTraP2"; + disabled = pythonOlder "3.5"; + + src = fetchPypi { + inherit pname version; + sha256 = "b828ad2b3b3a40956ef866e462e4c82faf83be79348af3945d4e7cede8a53913"; + }; + + buildInputs = [ cython cmake ]; + checkInputs = [ pytest ]; + propagatedBuildInputs = [ spglib numpy scipy matplotlib ase netcdf4 ]; + + # pypi release does no include files for tests + doCheck = false; + + checkPhase = '' + py.test + ''; + + meta = with stdenv.lib; { + homepage = https://www.boltztrap.org/; + description = "Band-structure interpolator and transport coefficient calculator"; + license = licenses.gpl3; + maintainers = [ maintainers.costrouc ]; + }; +} diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index 9c4b6f56f1e4..6c5870b529c1 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -897,6 +897,8 @@ in { enablePython = true; }); + boltztrap2 = callPackage ../development/python-modules/boltztrap2 { }; + bumps = callPackage ../development/python-modules/bumps {}; cached-property = callPackage ../development/python-modules/cached-property { }; |