From 78b2068039eb1acbefe7620f40cb37a26a426d1f Mon Sep 17 00:00:00 2001 From: Pau Andrio Date: Wed, 29 May 2024 16:05:20 +0200 Subject: [PATCH] [TEST] Updating GMXLIB of docker test --- biobb_pmx/pmxbiobb/pmxmutate.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/biobb_pmx/pmxbiobb/pmxmutate.py b/biobb_pmx/pmxbiobb/pmxmutate.py index 9a3d999..ce32418 100755 --- 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