The command-line gap_fit program does not work in the latest PyPI releases. In 0.10.1, no gap_fit program is installed at all; in version 0.10.2, a gap_fit program is created, but when run hangs for ~1 seconds and produces no output.
System
Ubuntu 22.04.5
Python 3.10.12
pip 22.0.2
Steps to Reproduce
Create a clean venv environment.
pip install quippy-ase==0.10.1
=> No gap_fit created in venv/bin
pip install quippy-ase==0.10.2
=> gap_fit is created in venv/bin, but running it from the command line produces no output.
Note
Installing v0.9.14 on the same machine works fine, provided that I also install old versions of several other libraries (numpy, ase, f90wrap).
The command-line gap_fit program does not work in the latest PyPI releases. In 0.10.1, no gap_fit program is installed at all; in version 0.10.2, a gap_fit program is created, but when run hangs for ~1 seconds and produces no output.
System
Ubuntu 22.04.5
Python 3.10.12
pip 22.0.2
Steps to Reproduce
Create a clean venv environment.
pip install quippy-ase==0.10.1=> No
gap_fitcreated in venv/binpip install quippy-ase==0.10.2=>
gap_fitis created in venv/bin, but running it from the command line produces no output.Note
Installing v0.9.14 on the same machine works fine, provided that I also install old versions of several other libraries (numpy, ase, f90wrap).