Some of the packages' version in the reruirements.txt are outdated.

[hongyi-zhao]

Hi,

I noticed the pymatgen's version listed in reruirements.txt is 2019.10.16. As we all know, this package is updated with new features very frequently. So the above version is rather outdated.

Regards

[haidi-ustc]

Thank you for your suggestion, we have update the requirements for python virtual envionment. One thing need to note is that pyxtal is incompatible with maptool, you need modify the setup.py manually.

[hongyi-zhao]

Another issue: I cannot find the seekpath package from the requirements.txt file. Don't you rely on it for k-path generating?

OTOH, recently, the pymatgen has added the seekpath as an alternative method for k-path generating.

Regards

[haidi-ustc]

Another issue: I cannot find the seekpath package from the requirements.txt file. Don't you rely on it for k-path generating?

OTOH, recently, the pymatgen has added the seekpath as an alternative method for k-path generating.

Regards

We plan to use seekpath, currently too busy. If you would like to join the develop group, you are welcome!

[hongyi-zhao]

I'm thinking on the following thing: It seems this tool only exposes the users command line interface without api. This way, the power of the language will be pruned. And finally, it may only be a tool for beginners and make it difficult to implement complicated and advanced functions.

Regards

[haidi-ustc]

I'm thinking on the following thing: It seems this tool only exposes the users command line interface without api. This way, the power of the language will be pruned. And finally, it may only be a tool for beginners and make it difficult to implement complicated and advanced functions.

Regards

Wish to discuss more with you on wechat, you may send me your wechat ID to [email protected] .