setup add missing requirement spglib (for structure_analyzer)

JuDFTteam · Jun 21, 2023 · 80baeb0 · 80baeb0
1 parent a2c930c
commit 80baeb0
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/setup.json b/setup.json
@@ -30,7 +30,8 @@
         "aiida-core",
         "pytz",
         "humanfriendly",
-        "pycifrw"
+        "pycifrw",
+        "spglib"
     ],
     "extras_require": {
         "pre-commit": [

diff --git a/setup.py b/setup.py
@@ -29,8 +29,8 @@
         #     'pytz',
         #     'humanfriendly',
         #     'pycifrw', # structure_analyzer
+        #     'spglib', # structure_analyzer
         #     # 'aiida-kkr', # plugins.kkr
-        #     # 'spglib', # structure_analyzer
         # ],
         # add rest of the things defined in setup.json
         **kwargs