IFMlab / ChemFlow

Computational Chemistry Workflows
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Input dockflow #25

Closed AdrienCerdan closed 6 years ago

AdrienCerdan commented 6 years ago

Dockflow should not read automatically .config file. Dockflow should Error if you pass both config file and arguments, or combine them if possible. Dockflow should fatal error if you don't provide arguments neither a config file.

cbouy commented 6 years ago

Fixed: DockFlow now requires the user to either specify a config file or give arguments from the command line, it doesn't read automatically the .config file anymore. If both config file and arguments are given, DockFlow reads the config file and append the arguments to a new "DockFlow.config" file, so in the end the arguments are proprietary over the config file