Git tag or pypi release

[hadim]

Would that be possible to push a git tag or a pypi release?

I might use it to make a conda package of espsim.

ping @hesther

[hesther]

Hi @hadim, seems like psi4 is not on Conda forge anyways, so I guess you dropped the plans of making a Conda package? Making a pypi or Conda package is on my todo list, but I haven't quite gotten around to it yet. Psi4 is optional for ESPsim, maybe I'll make a slim version without psi4 in the future

[hadim]

Thanks @hesther. Indeed psi4 is not on conda forge but it looks like it might come at some point: psi4/psi4#2300

For now, I have just closed the feedstock PR but I am fine reopening it whenever you have a released version of espsim without psi4 as a hard dep. The alternative is just to wait to get the psi4 package on conda forge.

(feel free to close here if relevant)

thanks

[hesther]

Hi @hadim, I think I'll wait a bit and see whether the psi4 issues get resolved (seems like it might). I'll leave this open as a reminder for me to follow that development, or release a non-psi4 version if it takes too long.

Let me know if you need it before that, then I can prioritize it on my todo list (which is unfortunately a bit long currently)

[hadim]

Nothing blocking for me. Thanks again.

[hesther]

hi @hadim, seems like the psi4 issue was resolved (I think?), would you still be interested in making a conda package? I think a couple of users are waiting for one, but I currently don't have time to do it myself unfortunately (but happy to help).

[hadim]

Indeed psi4 is now on cf. I would be able to but not before early September!

[hesther]

No rush at all, if you ever find time I would be very glad to not have to do it on my own :)

[hadim]

I will make a draft PR on stage-recipes but to move forward I will need you to add a git tag to this repo.

Then we'll have to wait for conda-forge/libint-feedstock#21 to be resolved.

[hadim]

Draft PR at conda-forge/staged-recipes#23732

[hesther]

Thanks for the quick help! Here's a tag #29