From d2f79a4dfd256d85f6bb5dd4abd5329a6e9e7c4c Mon Sep 17 00:00:00 2001
From: Lester Hedges <lester.hedges@gmail.com>
Date: Mon, 3 Jun 2024 14:14:21 +0100
Subject: [PATCH] Try manually killing the process associated with port 10000.

---
 environment.yaml      |  1 +
 environment_sire.yaml |  1 +
 tests/conftest.py     | 16 ++++++++++------
 3 files changed, 12 insertions(+), 6 deletions(-)

diff --git a/environment.yaml b/environment.yaml
index 3866bde..4c41609 100644
--- a/environment.yaml
+++ b/environment.yaml
@@ -11,6 +11,7 @@ dependencies:
   - eigen
   - loguru
   - pip
+  - psutil
   - pybind11
   - pytorch
   - python < 3.11
diff --git a/environment_sire.yaml b/environment_sire.yaml
index 418f378..3592e2d 100644
--- a/environment_sire.yaml
+++ b/environment_sire.yaml
@@ -13,6 +13,7 @@ dependencies:
   - loguru
   - openmm >= 8.1
   - pip
+  - psutil
   - pybind11
   - pytorch
   - python < 3.11
diff --git a/tests/conftest.py b/tests/conftest.py
index 61d0f1b..ebc8d52 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -1,5 +1,6 @@
 import os
 import pytest
+import psutil
 import shlex
 import subprocess
 
@@ -12,9 +13,12 @@ def wrapper():
 
     yield
 
-    # Stop the EMLE server.
-    process = subprocess.run(
-        shlex.split("emle-stop"),
-        stdout=subprocess.PIPE,
-        stderr=subprocess.PIPE,
-    )
+    # Kill the EMLE server. We do this manually rather than using emle-stop
+    # because there is sometimes a delay in the termination of the server,
+    # which causes the next test # to fail. This only seems to happen when
+    # testing during CI.
+    for conn in psutil.net_connections(kind="inet"):
+        if conn.laddr.port == 10000:
+            process = psutil.Process(conn.pid)
+            process.terminate()
+            break