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The sire.load function will try to work out the GROMACS share path at runtime and will download some standard GROMACS files if the path isn't found. This results in a hang if GROMACS isn't installed and the user has no internet connection. This happens even when the user explicitly passes the gromacs_path to the function, since _get_gromacs_dir is incorrectly called twice, i.e.:
Lines 442 to 450 in 208c15f
| if gromacs_path is None: | |
| gromacs_path = _get_gromacs_dir() | |
| m = { | |
| "GROMACS_PATH": _get_gromacs_dir(), | |
| "show_warnings": show_warnings, | |
| "parallel": parallel, | |
| "ignore_topology_frame": ignore_topology_frame, | |
| } |
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bugSomething isn't workingSomething isn't working