1 files changed, 45 insertions, 0 deletions
diff --git a/infra/libkookie/nixpkgs/pkgs/development/python-modules/boltztrap2/default.nix b/infra/libkookie/nixpkgs/pkgs/development/python-modules/boltztrap2/default.nix
new file mode 100644
index 000000000000..48fc3bf69983
--- /dev/null
+++ b/infra/libkookie/nixpkgs/pkgs/development/python-modules/boltztrap2/default.nix
@@ -0,0 +1,45 @@
+{ stdenv
+, buildPythonPackage
+, fetchPypi
+, spglib
+, numpy
+, scipy
+, matplotlib
+, ase
+, netcdf4
+, pytest
+, pythonOlder
+, cython
+, cmake
+}:
+
+buildPythonPackage rec {
+  version = "20.7.1";
+  pname = "BoltzTraP2";
+  disabled = pythonOlder "3.5";
+
+  src = fetchPypi {
+    inherit pname version;
+    sha256 = "41caa32e5778323471d87033f23537f6178a7aea64fba894c7f2b2579b51f7ed";
+  };
+
+  dontUseCmakeConfigure = true;
+
+  nativeBuildInputs = [ cmake cython ];
+  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 = "http://www.boltztrap.org/";
+    description = "Band-structure interpolator and transport coefficient calculator";
+    license = licenses.gpl3;
+    maintainers = [ maintainers.costrouc ];
+  };
+}