GAPotential.train error : "No such file or directory: 'train.xml'"

[materialsvirtuallab]

GAPotential.train error : "No such file or directory: 'train.xml'"

[wilsonnieto]

Hi, where you able to solve this problem? I am facing this issue too

[AyeshaUlde]

@wilsonnieto No, I was not able to solve it.

[JiQi535]

@AyeshaUlde @wilsonnieto Thanks for reporting the error. It was probably due to an outdated gap command. I have updated the codes. Please update the maml code and see if the error is fixed.

[AyeshaUlde]

@AyeshaUlde @wilsonnieto Thanks for reporting the error. It was probably due to an outdated gap command. I have updated the codes. Please update the maml code and see if the error is fixed.

I updated maml using the command "pip install --upgrade maml". It showed "Requirement already satisfied" for maml and all other packages. I then tried to run the code but I am still getting the same error. I suspect the error still persists because maml did not get updated. What is the appropriate command to update it?

[JiQi535]

@AyeshaUlde To always keep to the latest version of the maml package, I suggest use the protocol same as other open source packages on github, which is to use git clone to download the package, then use pip installed -e . in the folder of the downloaded maml package to install it, and we can use git pull to update it whenever a new version is released. In your current situation case, you may use the below commands in your terminal:

pip uninstall maml
git clone https://github.com/materialsvirtuallab/maml
cd maml; pip installed -e .

The released package on pypi is not always the latest, but we will also update it from time to time. I will update it to a new version after confirming that this bug is fixed. Please let us know how if it works. Thanks!

[AyeshaUlde]

@AyeshaUlde To always keep to the latest version of the maml package, I suggest use the protocol same as other open source packages on github, which is to use git clone to download the package, then use pip installed -e . in the folder of the downloaded maml package to install it, and we can use git pull to update it whenever a new version is released. In your current situation case, you may use the below commands in your terminal:

pip uninstall maml
git clone https://github.com/materialsvirtuallab/maml
cd maml; pip installed -e .

The released package on pypi is not always the latest, but we will also update it from time to time. I will update it to a new version after confirming that this bug is fixed. Please let us know how if it works. Thanks!

That worked. Thank you.