gnu: Add python-geometric.

* gnu/packages/chemistry.scm (python-geometric): New variable.

Change-Id: I5d716df3d71a671c334ff2dfd1b44e15e37afc5a
Signed-off-by: Sharlatan Hellseher <sharlatanus@gmail.com>

gnu/packages/chemistry.scm

@@ -674,6 +674,36 @@ symmetries written in C.  Spglib can be used to:
 @end enumerate")
     (license license:bsd-3)))
 
+(define-public python-geometric
+  (package
+    (name "python-geometric")
+    (version "1.1")
+    (source
+     (origin
+       (method git-fetch)
+       (uri (git-reference
+              (url "https://github.com/leeping/geomeTRIC")
+              (commit version)))
+       (file-name (git-file-name name version))
+       (sha256
+        (base32 "0w3c71wvhnc44pfafcjfgqkjimkcdkpjk3bahg9v6l1z8c0cyhfy"))))
+    (build-system pyproject-build-system)
+    (native-inputs
+     (list python-pytest
+           python-setuptools
+           python-wheel))
+    (propagated-inputs
+     (list python-numpy
+           python-scipy
+           python-networkx))
+    (home-page "https://github.com/leeping/geomeTRIC")
+    (synopsis "Geometry optimization of molecular structures")
+    (description
+     "@code{geomeTRIC} is a Python library and program for geometry
+optimization of molecular structures, which works with different external
+quantum chemistry (and molecular mechanics) softwares.")
+    (license license:bsd-3)))
+
 (define-public python-pymol
   (package
     (name "python-pymol")