From ca94c30eb53964e4ec8da95b05adfe4308e02416 Mon Sep 17 00:00:00 2001 From: Peter Date: Thu, 13 Nov 2025 09:50:28 +0100 Subject: [PATCH 1/2] fixes a numpy problem. np.int was deprecated, for newer versions np.int64 or np.int32 is needed --- pylipid/func/interactions.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pylipid/func/interactions.py b/pylipid/func/interactions.py index 5c4237b..e137cfe 100644 --- a/pylipid/func/interactions.py +++ b/pylipid/func/interactions.py @@ -100,7 +100,7 @@ def __init__(self, contact_low, contact_high, dt): self.contact_low = contact_low self.contact_high = contact_high self.dt = dt - self.pointer = [np.zeros_like(self.contact_high[idx], dtype=np.int) + self.pointer = [np.zeros_like(self.contact_high[idx], dtype=np.int64) for idx in range(len(self.contact_high))] return From b94944166d4a96a1a1a10be6a5352cd56ab80a4b Mon Sep 17 00:00:00 2001 From: Peter Date: Thu, 13 Nov 2025 10:48:56 +0100 Subject: [PATCH 2/2] Add the minimum numpy version. From 1.2.0 onwards, np.int64 / np.int32 is used. --- requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.txt b/requirements.txt index 7dd8414..834d976 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,5 +1,5 @@ mdtraj -numpy +numpy>=1.2.0 pandas matplotlib>=3.3.3 networkx