From 1ac9d8ea407dc7262cdb5acdf290bd3a26f536c8 Mon Sep 17 00:00:00 2001
From: Chris Ostrouchov <chris.ostrouchov@gmail.com>
Date: Wed, 10 Oct 2018 18:13:56 -0400
Subject: [PATCH] pythonPackages.atomman: init at 1.2.3

---
 .../python-modules/atomman/default.nix        | 40 +++++++++++++++++++
 pkgs/top-level/python-packages.nix            |  2 +
 2 files changed, 42 insertions(+)
 create mode 100644 pkgs/development/python-modules/atomman/default.nix

diff --git a/pkgs/development/python-modules/atomman/default.nix b/pkgs/development/python-modules/atomman/default.nix
new file mode 100644
index 00000000000..ce4408b8441
--- /dev/null
+++ b/pkgs/development/python-modules/atomman/default.nix
@@ -0,0 +1,40 @@
+{ stdenv
+, buildPythonPackage
+, fetchPypi
+, xmltodict
+, datamodeldict
+, numpy
+, matplotlib
+, scipy
+, pandas
+, cython
+, numericalunits
+, pytest
+}:
+
+buildPythonPackage rec {
+  version = "1.2.3";
+  pname = "atomman";
+
+  src = fetchPypi {
+    inherit pname version;
+    sha256 = "9eb6acc5497263cfa89be8d0f383a9a69f0726b4ac6798c1b1d96f26705ec09c";
+  };
+
+  checkInputs = [ pytest ];
+  propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits ];
+
+  # tests not included with Pypi release
+  doCheck = false;
+
+  checkPhase = ''
+    py.test tests
+  '';
+
+  meta = with stdenv.lib; {
+    homepage = https://github.com/usnistgov/atomman/;
+    description = "Atomistic Manipulation Toolkit";
+    license = licenses.mit;
+    maintainers = [ maintainers.costrouc ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index dcddc42d177..70335098c2e 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -212,6 +212,8 @@ in {
 
   aws-adfs = callPackage ../development/python-modules/aws-adfs { };
 
+  atomman = callPackage ../development/python-modules/atomman { };
+
   # packages defined elsewhere
 
   amazon_kclpy = callPackage ../development/python-modules/amazon_kclpy { };