[Dev] Is there a better way than carry the binary and lib for GULP in the source code and package?

[DanielYang59]

Solved in #3789.

Hope this is not a silly question. Just wondering why do we need to carry the binary and libs for GULP (pymatgen/cmd_line/gulp) and also include it inside the pypi package?

pymatgen/setup.py

Line 112 in ff94faa

"pymatgen.command_line": ["*"],

This doesn't sound like part of our pymatgen package (just like we don't ship other external dependencies like Bader or such)?

[janosh]

no idea. this predates my involvement with pymatgen. i suspect there's no (longer?) good reason to package gulp. maybe @shyuep can comment?

[shyuep]

Gulp caller uses gulp.

[DanielYang59]

Can we locate this out of our package? Just like bader/chargemol/**__caller uses some external packages, we cannot just include all these packages inside our package?

[janosh]

what's the reason for forcing every user to download an 11 year old Linux 64-bit only gulp binary? i'm guessing the intersection of gulp and active pymatgen users is close to zero

[DanielYang59]

Yes it's pretty old and I highly doubt if we really need to pack it inside pymatgen package.

Also I cannot access the website for some reason:

pymatgen/pymatgen/command_line/gulp_caller.py

Lines 1 to 4 in ff94faa

	"""Interface with command line GULP.
	http://projects.ivec.org
	WARNING: you need to have GULP installed on your system.
	"""

But this website from Curtin University seems to work: https://gulp.curtin.edu.au/index.html