1 files changed, 40 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/ase/default.nix b/nixpkgs/pkgs/development/python-modules/ase/default.nix
new file mode 100644
index 000000000000..c3ec514844c2
--- /dev/null
+++ b/nixpkgs/pkgs/development/python-modules/ase/default.nix
@@ -0,0 +1,40 @@
+{ lib
+, fetchPypi
+, buildPythonPackage
+, isPy27
+, numpy
+, scipy
+, matplotlib
+, flask
+, pillow
+, psycopg2
+}:
+
+buildPythonPackage rec {
+  pname = "ase";
+  version = "3.22.1";
+  disabled = isPy27;
+
+  src = fetchPypi {
+    inherit pname version;
+    sha256 = "sha256-AE32sOoEsRFMeQ+t/kXUEl6w5TElxmqTQlr4U9gqtDI=";
+  };
+
+  propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];
+
+  checkPhase = ''
+    $out/bin/ase test
+  '';
+
+  # tests just hang most likely due to something with subprocesses and cli
+  doCheck = false;
+
+  pythonImportsCheck = [ "ase" ];
+
+  meta = with lib; {
+    description = "Atomic Simulation Environment";
+    homepage = "https://wiki.fysik.dtu.dk/ase/";
+    license = licenses.lgpl21Plus;
+    maintainers = with maintainers; [ costrouc ];
+  };
+}