? spglib to dependency

aiidalab · Aug 8, 2022 · 8ad90b0 · 8ad90b0
1 parent e2b1db6
commit 8ad90b0
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diff --git a/metadata.json b/metadata.json
@@ -14,6 +14,7 @@
             "more_itertools~=8.0",
             "nglview~=3.0",
             "numpy~=1.17",
+            "spglib~=1.16",
             "optimade-client==2021.5.7",
             "pandas~=1.0",
             "scikit-learn~=0.24",

diff --git a/setup.cfg b/setup.cfg
@@ -40,6 +40,7 @@ install_requires =
     optimade-client==2022.4.20
     pandas~=1.0
     scikit-learn~=0.24
+    spglib~=1.16
     vapory~=0.1.2
 python_requires = >=3.7
 include_package_data = True