From 4716facdd18213e1627b0610ef226965ec709cf8 Mon Sep 17 00:00:00 2001
From: Chris Ostrouchov <chris.ostrouchov@gmail.com>
Date: Fri, 10 Aug 2018 16:41:46 -0400
Subject: [PATCH] pythonPackage.ase: init at 3.16.2

 - tests just hang so skipping tests
 - python 2.7, 3+
 - repository is in gitlab so had to fetchurl
---
 .../python-modules/ase/default.nix            | 36 +++++++++++++++++++
 pkgs/top-level/python-packages.nix            |  2 ++
 2 files changed, 38 insertions(+)
 create mode 100644 pkgs/development/python-modules/ase/default.nix

diff --git a/pkgs/development/python-modules/ase/default.nix b/pkgs/development/python-modules/ase/default.nix
new file mode 100644
index 000000000000..1f7b9419278e
--- /dev/null
+++ b/pkgs/development/python-modules/ase/default.nix
@@ -0,0 +1,36 @@
+{ lib
+, fetchurl
+, buildPythonPackage
+, numpy
+, scipy
+, matplotlib
+, flask
+, pillow
+, psycopg2
+}:
+
+buildPythonPackage rec {
+  version = "3.16.2";
+  pname = "ase";
+
+  src = fetchurl {
+     url = "https://gitlab.com/${pname}/${pname}/-/archive/${version}/${pname}-${version}.tar.gz";
+     sha256 = "171j3f4a261cfnqjq98px5fldxql65i3jgf60wc945xvh0mbc8ds";
+  };
+
+  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;
+
+  meta = {
+    description = "Atomic Simulation Environment";
+    homepage = https://wiki.fysik.dtu.dk/ase/;
+    license = lib.licenses.lgpl21Plus;
+    maintainers = with lib.maintainers; [ costrouc ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index c8b4a8ace418..d48741ce8a49 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -182,6 +182,8 @@ in {
 
   asana = callPackage ../development/python-modules/asana { };
 
+  ase = callPackage ../development/python-modules/ase { };
+
   asn1crypto = callPackage ../development/python-modules/asn1crypto { };
 
   aspy-yaml = callPackage ../development/python-modules/aspy.yaml { };