[TEST] Updating GMXLIB of docker test

bioexcel · May 29, 2024 · 78b2068 · 78b2068
1 parent 6c03762
commit 78b2068
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/biobb_pmx/pmxbiobb/pmxmutate.py b/biobb_pmx/pmxbiobb/pmxmutate.py
@@ -86,12 +86,12 @@ def __init__(self, input_structure_path: str, output_structure_path: str, input_
 
         # Properties common in all PMX BB
         self.gmx_lib = properties.get('gmx_lib', None)
-        if not self.gmx_lib and os.environ.get('CONDA_PREFIX', ''):
+        if not self.gmx_lib and os.environ.get('CONDA_PREFIX'):
             python_version = f"{sys.version_info.major}.{sys.version_info.minor}"
             self.gmx_lib = str(
                 Path(os.environ.get('CONDA_PREFIX', '')).joinpath(f"lib/python{python_version}/site-packages/pmx/data/mutff/"))
             if properties.get('container_path'):
-                self.gmx_lib = str(Path('/usr/local/').joinpath("lib/python3.7/site-packages/pmx/data/mutff/"))
+                self.gmx_lib = str(Path('/usr/local/').joinpath("lib/python3.8/site-packages/pmx/data/mutff/"))
         self.binary_path = properties.get('binary_path', 'pmx')
 
         # Check the properties