Merge branch 'master' into surface

usnistgov · Apr 25, 2024 · 24e294b · 24e294b
2 parents 105160b + 4ec2bf5
commit 24e294b
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Showing 4 changed files with 6 additions and 5 deletions.
diff --git a/jarvis/__init__.py b/jarvis/__init__.py
@@ -10,4 +10,4 @@ def test(*args):
     import pytest
 
     path = os.path.join(os.path.split(__file__)[0], "tests")
-    pytest.main(args=[path] + list(args))
+    pytest.main(args=[path] + list(args))
diff --git a/jarvis/core/atoms.py b/jarvis/core/atoms.py
@@ -2396,4 +2396,4 @@ def build_xanes_poscar(
 #    info['cartesian']=atoms['cartesian']
 #    elements=[i.strip() for i in atoms['elements']]
 #    info['elements']=elements
-#    return info
+#    return info
diff --git a/jarvis/tests/testfiles/core/test_atoms.py b/jarvis/tests/testfiles/core/test_atoms.py
@@ -266,5 +266,5 @@ def test_remove_sites_by_indices():
     )
     assert Si2_supercell_without_two_atoms.num_atoms == 14
 
-test_basic_atoms()
-# test_remove_sites_by_indices()
+# test_basic_atoms()
+# test_remove_sites_by_indices()
diff --git a/setup.py b/setup.py
@@ -34,6 +34,7 @@
             "magpie.json",
             "element_charge.json",
             "atom_init.json",
+            "mineral_name_prototype.json.zip",
         ],
         "jarvis.tasks.lammps.templates": [
             "displace.mod",
@@ -83,4 +84,4 @@
         "Topic :: Scientific/Engineering",
     ],
     # scripts=glob.glob(os.path.join(JARVIS_DIR,  "*"))
-)
+)