From 44595a679b2345ddad993c73bbd26fff9d19031c Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@googlemail.com>
Date: Tue, 25 May 2021 14:00:20 +0200
Subject: [PATCH 1/2] maintainer-list: add sheepforce (me)

---
 maintainers/maintainer-list.nix | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/maintainers/maintainer-list.nix b/maintainers/maintainer-list.nix
index a032f301786..0130499a993 100644
--- a/maintainers/maintainer-list.nix
+++ b/maintainers/maintainer-list.nix
@@ -9161,6 +9161,12 @@
     githubId = 1443459;
     name = "Sheena Artrip";
   };
+  sheepforce = {
+    email = "phillip.seeber@googlemail.com";
+    github = "sheepforce";
+    githubId = 16844216;
+    name = "Phillip Seeber";
+  };
   sheganinans = {
     email = "sheganinans@gmail.com";
     github = "sheganinans";

From ab484473ae570fbedf935d191ec9284dbc6ccfe4 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@googlemail.com>
Date: Tue, 25 May 2021 15:09:39 +0200
Subject: [PATCH 2/2] qcelemental: init at 0.20.0

qcelemental: directory name


qcelemental: remove cacert, 0.19.0 -> 0.20.0
---
 .../python-modules/qcelemental/default.nix    | 26 +++++++++++++++++++
 pkgs/top-level/python-packages.nix            |  2 ++
 2 files changed, 28 insertions(+)
 create mode 100644 pkgs/development/python-modules/qcelemental/default.nix

diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix
new file mode 100644
index 00000000000..52cd264a005
--- /dev/null
+++ b/pkgs/development/python-modules/qcelemental/default.nix
@@ -0,0 +1,26 @@
+{ buildPythonPackage, lib, fetchPypi, numpy, pydantic, pint,
+  networkx, pytestrunner, pytestcov, pytest
+} :
+
+buildPythonPackage rec {
+  pname = "qcelemental";
+  version = "0.20.0";
+
+  checkInputs = [ pytestrunner pytestcov pytest ];
+  propagatedBuildInputs = [ numpy pydantic pint networkx ];
+
+  src = fetchPypi {
+    inherit pname version;
+    sha256 = "141vw36fmacj897q26kq2bl9l0d23lyqjfry6q46aa9087dcs7ni";
+  };
+
+  doCheck = true;
+
+  meta = with lib; {
+    description = "Periodic table, physical constants, and molecule parsing for quantum chemistry.";
+    homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/";
+    license = licenses.bsd3;
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index 38ab293c872..d39ee309184 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -7007,6 +7007,8 @@ in {
 
   qasm2image = throw "qasm2image is no longer maintained (since November 2018), and is not compatible with the latest pythonPackages.qiskit versions."; # added 2020-12-09
 
+  qcelemental = callPackage ../development/python-modules/qcelemental { };
+
   qdarkstyle = callPackage ../development/python-modules/qdarkstyle { };
 
   qdldl = callPackage ../development/python-modules/qdldl { };