From b4d4d8771279923107dd10c1978621c570a1ad8a Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Tue, 8 Feb 2022 11:43:01 +0100
Subject: [PATCH 1/2] python/geometric: remove in favor of upstream package

---
 pkgs/lib/geometric/default.nix | 34 ----------------------------------
 pythonPackages.nix             |  2 --
 2 files changed, 36 deletions(-)
 delete mode 100644 pkgs/lib/geometric/default.nix

diff --git a/pkgs/lib/geometric/default.nix b/pkgs/lib/geometric/default.nix
deleted file mode 100644
index bf7b0a74..00000000
--- a/pkgs/lib/geometric/default.nix
+++ /dev/null
@@ -1,34 +0,0 @@
-{ buildPythonPackage, lib, fetchPypi
-, networkx, numpy, scipy, six
-, pytest-cov, pytest
-}:
-
-buildPythonPackage rec {
-  pname = "geometric";
-  version = "0.9.7.2";
-
-  src = fetchPypi {
-    inherit pname version;
-    sha256 = "1p9vxvzvnb6nnqlxl2r75jrih9bbqqbsm5zjn3i311qq3b1whsbg";
-  };
-
-  propagatedBuildInputs = [
-    networkx
-    numpy
-    scipy
-    six
-    pytest-cov
-  ];
-
-  checkInputs = [
-    pytest
-    pytest-cov
-  ];
-
-  meta = with lib; {
-    description = "Geometry optimization code for molecular structures";
-    homepage = "https://github.com/leeping/geomeTRIC";
-    license = [ licenses.bsd3 ];
-    maintainers = [ maintainers.markuskowa ];
-  };
-}
diff --git a/pythonPackages.nix b/pythonPackages.nix
index 3919c70a..a15cf6b7 100644
--- a/pythonPackages.nix
+++ b/pythonPackages.nix
@@ -16,8 +16,6 @@ let
   } // lib.optionalAttrs super.isPy3k {
     pyqdng = callPackage ./pkgs/apps/pyQDng { };
 
-    geometric = callPackage ./pkgs/lib/geometric { };
-
     gpaw = callPackage ./pkgs/apps/gpaw { };
 
     gau2grid = callPackage ./pkgs/apps/gau2grid { };

From f4bec05fb11ad3cf95dbcaaf407b8d3173c8ddbe Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Tue, 8 Feb 2022 11:49:26 +0100
Subject: [PATCH 2/2] update flake.lock

---
 flake.lock | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/flake.lock b/flake.lock
index 2afba616..069cbc03 100644
--- a/flake.lock
+++ b/flake.lock
@@ -2,11 +2,11 @@
   "nodes": {
     "nixpkgs": {
       "locked": {
-        "lastModified": 1643381941,
-        "narHash": "sha256-pHTwvnN4tTsEKkWlXQ8JMY423epos8wUOhthpwJjtpc=",
+        "lastModified": 1644151317,
+        "narHash": "sha256-TpXGBYCFKvEN7Q+To45rn4kqTbLPY4f56rF6ymUGGRE=",
         "owner": "NixOS",
         "repo": "nixpkgs",
-        "rev": "5efc8ca954272c4376ac929f4c5ffefcc20551d5",
+        "rev": "942b0817e898262cc6e3f0a5f706ce09d8f749f1",
         "type": "github"
       },
       "original": {