pythonPackages.BoltzTraP2: init at 18.9.1

1 files changed, 43 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 ];
+  };
+}