From eb66b3e3ae5e0a6bda471781ba408b07184a390f Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 12 Apr 2024 13:26:47 +0200
Subject: [PATCH] fix CI - avoid kwarg in numpy.vstack which has been
introduced in numpy 1.24
---
modules/mol/alg/pymod/lddt.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py
index bdadd90c0..59d9e0b4e 100644
--- a/modules/mol/alg/pymod/lddt.py
+++ b/modules/mol/alg/pymod/lddt.py
@@ -849,7 +849,7 @@ class lDDTScorer:
self.symmetric_atoms.add(
self.atom_indices[hashcode]
)
- self.positions = np.vstack(positions, dtype=np.float32)
+ self.positions = np.vstack(positions)
self.n_atoms = current_idx
def _GetTargetResidueNumbers(self, target, seqres_mapping):
--
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