search

romerogroup / pyprocar

A Python library for electronic structure pre/post-processing
GNU General Public License v3.0
171 stars 75 forks source link

Confused with PyProCar version and documentation #108

Open alpinnovianus opened 1 year ago

alpinnovianus commented 1 year ago

Hello PyProCar team,

I'm a little confused with which version PyProCar is currently on.

Changelog in GitHub shows 5.6.4. Releases page in GitHub shows 5.6.3 is latest. PyPI shows 5.6.6 (https://pypi.org/project/PyProcar/5.6.6/) and documentation page is 2.0.0 (https://romerogroup.github.io/pyprocar/)

I myself remember I used v5.6.5 before, with documentation page also written in that version. But now this version disappears from GitHub or the documentation page completely.

Am I missing an announcement or something?

lllangWV commented 1 year ago

Hey alpinnovianus,

Sorry for the confusion. We were in the process of updating the packaging and had discrepancies between pypi, github, and the docs

Changelog is now -> v6.0.0 Releases page in GitHub is now -> v6.0.0 PyPI -> 6.0.0 (https://pypi.org/project/PyProcar/6.0.0/) Documentation page -> 6.0.0

Thank you for pointing this out!

Logan Lang

phyjagjit commented 1 year ago

Even I am facing the same problem. The documentation works fine with version 5.6.4. But, after updating to 6.0.0 version, the codes according to the documentation arent working.

alpinnovianus commented 1 year ago

Hey alpinnovianus,

Sorry for the confusion. We were in the process of updating the packaging and had discrepancies between pypi, github, and the docs

Changelog is now -> v6.0.0 Releases page in GitHub is now -> v6.0.0 PyPI -> 6.0.0 (https://pypi.org/project/PyProcar/6.0.0/) Documentation page -> 6.0.0

Thank you for pointing this out!

Logan Lang

Dear Logan,

I think it is necessary to add in GitHub Changelog and GitHub releases also the versions 5.6.4 and 5.6.5 to align with PyPI release history page. Currently they're absent in Github release/changelog and hence there's a strange skip from 5.6.3 release to 6.0.0.

In general, I think it should be a rule to have all versions documented in github changelog and releases page even if there's a rollback (actually, it's even more important in that case) or a major update such as going to 6.0.0. After all, those versions were publicly released and some people might have used them already. If they just disappear without a trace, it will be worrying for users.

Even I am facing the same problem. The documentation works fine with version 5.6.4. But, after updating to 6.0.0 version, the codes according to the documentation arent working.

@phyjagjit, I think Logan might have simply changed the title from 2.0.0 in that page to 6.0.0. If I look at the copyright year at the bottom of the documentation page, I am afraid this documentation page might also be an old page instead of a new one (i.e., maybe it was actually made for version 2.0.0 and not compatible with 6.0.0).

© Copyright 2020, Romero Group. Built with the PyData Sphinx Theme 0.12.0.

Created using Sphinx 5.3.0.

phyjagjit commented 1 year ago

@alpinnovianus I think that is the case. And it seems a lot of things have changed in the new verion. It doesnot identify the outcar file as it used to and hence it shows error.

lllangWV commented 1 year ago

@alpinnovianus Thank you for the suggestion, you are absolutely right. I will add versions 5.6.4 and 5.6.5 to the GitHub Changelog and GitHub releases. Sorry for the confusion, we were in the process of making major code base and documentation changes and forgot the update the changelog and releases. I talked with another developer, who suggested we host the old documentation for versions <5.6.5 for people who want to use the old versions. I will add the link to this documentation in the README.md. I will also make a note in the README.md about the changes that have occurred to make the users more aware of them. I can not make these changes today but will do them tomorrow.

@phyjagjit That is the case. In the most recent version, we removed the ability to specify the OUTCAR in favor of specifying the directory with the keyword argument 'dirname' containing all the files you would expect. If you liked to be able to specify the OUTCAR, PROCAR, and POSCAR we can add those keyword arguments back in.

If there are any other issues please tell us and we will address them as quickly as we can.

Logan Lang