From 2b1594a5f6a3e3492cedece48792fdc7233430f4 Mon Sep 17 00:00:00 2001
From: Irfan Alibay <IAlibay@users.noreply.github.com>
Date: Sat, 21 Sep 2024 21:21:55 +0100
Subject: [PATCH] Update metadata.yaml

---
 mdakits/openmmdl/metadata.yaml | 13 +++++--------
 1 file changed, 5 insertions(+), 8 deletions(-)

diff --git a/mdakits/openmmdl/metadata.yaml b/mdakits/openmmdl/metadata.yaml
index f1ada715..762f6df6 100644
--- a/mdakits/openmmdl/metadata.yaml
+++ b/mdakits/openmmdl/metadata.yaml
@@ -53,16 +53,12 @@ install:
 ## source code.
 src_install:
   - | 
-    mamba install -c conda-forge 
+    mamba install -c conda-forge
     pip
-    setuptools>=61.0
-    versioningit~=2.0
-    pytest>=6.1.2
-    pytest-runner
     numpy
     plip
     requests>=2.28.1
-    mdtraj 
+    mdtraj
     rdkit>=2022.03.5
     pdbfixer
     openff-toolkit
@@ -70,15 +66,16 @@ src_install:
     cudatoolkit>=11.7.0
     cuda-python>=11.7.1
     mdanalysis>=2.3.0
-    pytest-shutil>=1.7.0
     flask>=2.2.2
     cairosvg
     nglview
     numba>=0.59.1
     jupyter
-     
   - pip install git+https://github.com/wolberlab/OpenMMDL
 
+test_dependencies:
+  - mamba install pytest>=6.1.2 pytest-runner pytest-shutil>=1.7.0
+
 ## str: the package name used to import the mdakit
 import_name: openmmdl