Question on Installation about dynaphopy HOT 6 CLOSED

Hi Huan,

Unfortunately, I don't know who is the maintainer of dynaphopy's conda package.
I'm currently maintaining only gitHub and pypi repositories.

from dynaphopy.

Hi Huan,

Unfortunately, I don't know who is the maintainer of dynaphopy's conda package. I'm currently maintaining only gitHub and pypi repositories.

Hi Abel,
Thank you very much for your quick response.
I will follow the python setup.py install --user method. But I have additional two questions.

(1) I am not sure about the --user option. Should I keep using --user or change it to a specific username as --huan?

(2) In the requirements.txt file, I found

phonopy >=2.0
# Note: dynaphopy also may work with phonopy <=1.12.6.26, >=1.9.6
numpy>=1.8.2
scipy
matplotlib
seekpath
PyYAML
windows-curses; sys_platform == 'windows'

Since I am using Linux system, should I just comment out the line windows-curses; sys_platform == 'windows', or should I change this line to sys_platform == 'Linuxe'?

Thanks again.
Huan

from dynaphopy.

In modern platforms I think you don't need even --user option anymore. This was introduced in case you didn't have administrator rights, so the package will be installed under the user home dir. I think now this is done automatically by pip.

Regarding requirements.txt you can just install them with pip:

pip install -r requirements.txt

You don't need to comment anything.

Anyway, if you just want to install dynaphopy I would recommend to just install it from PyPi repository (this is the easiest way):

pip install dynaphopy

This should work even inside a conda environment.

from dynaphopy.

In modern platforms I think you don't need even --user option anymore. This was introduced in case you didn't have administrator rights, so the package will be installed under the user home dir. I think now this is done automatically by pip.

Regarding requirements.txt you can just install them with pip:

pip install -r requirements.txt

You don't need to comment anything.

Anyway, if you just want to install dynaphopy I would recommend to just install it from PyPi repository (this is the easiest way):

pip install dynaphopy

This should work even inside a conda environment.

Thank you for your guidance.
pip install dynaphopy works well in my conda environment. It does not need to download the DynaPhoPy.tar.gz or git clone from GitHub. However, I found that the direct “pip install version of DynaPhoPy” does not have the scripts folder, which contains several scripts and files, e.g. concath5, dynaphopy, fitdata, qha_extract, qha_quasiparticle.py, and rfc_caclc.

Should I move the "scripts" folder to the conda environment directory?

from dynaphopy.

If these scripts are not included in the installation then you can place them in any location that is included in your $PATH environment variable for convenience (e.g. /usr/bin/, /usr/local/bin, etc.)

from dynaphopy.

If these scripts are not included in the installation then you can place them in any location that is included in your $PATH environment variable for convenience (e.g. /usr/bin/, /usr/local/bin, etc.)

Thanks a lot for your help.

from dynaphopy.