technical:recipes:deepmd

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technical:recipes:deepmd [2024-08-18 11:25] – [VALET Package Definition] bkangtechnical:recipes:deepmd [2024-08-18 11:30] (current) – [Using the Virtual Environment] bkang
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 <code bash> <code bash>
-$ vpkg_versions openmm+$ vpkg_versions deepmd
  
 Available versions in package (* = default version): Available versions in package (* = default version):
  
-[/work/it_css/sw/valet/openmm.vpkg_yaml] +[/work/it_css/sw/valet/deepmd.vpkg_yaml] 
-openmm      openmm within a conda virtualenv +deepmd      deepmd within a conda virtualenv 
-* 20240726  environment built July 26, 2024+* 20240818  environment built August 18, 2024
 </code> </code>
  
-You can import openmm, activating the virtual environment is accomplished using the ''vpkg_require'' command (in your login shell or inside job scripts):+You can import deepmd, activating the virtual environment is accomplished using the ''vpkg_require'' command (in your login shell or inside job scripts):
  
 <code bash> <code bash>
-$ vpkg_require openmm/20240726+$ vpkg_require deepmd/20240818
 Adding dependency `anaconda/2024.02` to your environment Adding dependency `anaconda/2024.02` to your environment
-Adding package `openmm/20240726` to your environment+Adding package `deepmd/20240818` to your environment
 (/work/it_css/sw/openmm/20240726)$ python (/work/it_css/sw/openmm/20240726)$ python
 ~/conda-envs/my-sci-app/20201102/bin/python3 ~/conda-envs/my-sci-app/20201102/bin/python3
  • technical/recipes/deepmd.1723994752.txt.gz
  • Last modified: 2024-08-18 11:25
  • by bkang