fix flake and import

mir-group · Nov 11, 2024 · 2032f6b · 2032f6b
1 parent 3d6de69
commit 2032f6b
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Showing 4 changed files with 5 additions and 5 deletions.
diff --git a/ciderpress/dft/tests/test_sph_harm_coeff.py b/ciderpress/dft/tests/test_sph_harm_coeff.py
@@ -3,6 +3,7 @@
 harmonic derivative coefficients are working correctly.
 """
 
+import ctypes
 import unittest
 
 import numpy as np
@@ -11,7 +12,6 @@
 from ciderpress.dft.sph_harm_coeff import (
     clebsch_gordan,
     clebsch_gordan_e3nn,
-    ctypes,
     get_deriv_ylm_coeff,
     libcider,
 )

diff --git a/ciderpress/pyscf/tests/test_rks_grad.py b/ciderpress/pyscf/tests/test_rks_grad.py
@@ -104,7 +104,7 @@ def setUpModule():
         or not mf7.converged
     ):
         raise RuntimeError(
-            "{} {} {} {} {}".format(
+            "{} {} {} {} {} {} {}".format(
                 mf1.converged,
                 mf2.converged,
                 mf3.converged,

diff --git a/ciderpress/pyscf/tests/test_sdmx.py b/ciderpress/pyscf/tests/test_sdmx.py
@@ -242,15 +242,15 @@ def test_cao_speed(self):
                     cao_buf = np.empty((ncomp, blksize, nao))
                     t2 = time.monotonic()
                     for i0, i1 in lib.prange(0, grids.coords.shape[0], blksize):
-                        cao_ref = eval_conv_ao(
+                        eval_conv_ao(
                             plan, mol, grids.coords[i0:i1], deriv=deriv, out=cao_buf
                         )
                     t3 = time.monotonic()
 
                     cao_buf = np.empty((ncomp, blksize, nao))
                     t4 = time.monotonic()
                     for i0, i1 in lib.prange(0, grids.coords.shape[0], blksize):
-                        cao_ref = eval_conv_sh(
+                        eval_conv_sh(
                             plan, mol, grids.coords[i0:i1], deriv=deriv, out=cao_buf
                         )
                     t5 = time.monotonic()

diff --git a/ciderpress/pyscf/tests/test_uks_grad.py b/ciderpress/pyscf/tests/test_uks_grad.py
@@ -103,7 +103,7 @@ def setUpModule():
         or not mf7.converged
     ):
         raise RuntimeError(
-            "{} {} {} {} {}".format(
+            "{} {} {} {} {} {} {}".format(
                 mf1.converged,
                 mf2.converged,
                 mf3.converged,