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peteboyd / lammps_interface

automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
MIT License
125 stars 63 forks source link

After the installation lammps-interface is not recognised as a command #29

Closed zoolflix closed 4 years ago

zoolflix commented 4 years ago

C:\WINDOWS\system32>lammps-interface --help 'lammps-interface' is not recognized as an internal or external command, operable program or batch file.

ltalirz commented 4 years ago

thanks for reporting, I've just added installation on windows to the continuous integration tests and was able to reproduce your issue: https://github.com/ltalirz/lammps_interface/runs/618074170#step:5:6

I've fixed the problem by moving the lammps-interface script to a console_scripts entry point in PR #32 , which I've just merged into the master branch. https://github.com/peteboyd/lammps_interface/pull/32/checks?check_run_id=618096243#step:5:1

You could try installing the latest master branch using something like

pip install git+https://github.com/peteboyd/lammps_interface

Let me know whether this fixes the issue and we should be making a new release...

zoolflix commented 4 years ago

Thanks for fixing the bug and for the very fast feedback ! It works perfect now :D Merci !!!