Skip to content
Snippets Groups Projects
Commit b241445a authored by Adam Fekete's avatar Adam Fekete
Browse files

Merge remote-tracking branch 'origin/atomic-features-package-numpy-1.21' into fix_setup

parents e6f6a8eb dd44d385
No related branches found
No related tags found
1 merge request!1Draft: Refactor and Update the code
image: gitlab-registry.mpcdf.mpg.de/nomad-lab/atomic-features-package
stages:
- doc_builds
pages:
stage: doc_builds
script:
- cd atomic-features-package/docs/
- make html
- mv _build/html/ ../../public/
- cd ../../
artifacts:
paths:
- public
only:
- master
- docs
- joss
......@@ -20,7 +20,7 @@ method_list = [method for method in dir(atomic_properties_matminer) if (method.s
ls = list(range(0,112))
df = pd.DataFrame(index = ls,columns = method_list)
df = pd.DataFrame(index = ls,columns = method_list, dtype='object')
......
......@@ -5,9 +5,15 @@ Unified package that contains atomic-features from various sources like PYMATGEN
**-------------------------------------------------------------------------------------------------------------------------------------------------------**
# Getting Started
To install this package download it as tar.gz archive. Then use the following command
To install this package clone it using this following link:
```pip install ./<name-of-tar-package>.tar.gz```
``git clone git@gitlab.mpcdf.mpg.de:nomad-lab/atomic-features-package.git``
Then use the following command to install it like any other python package
```pip install ./atomic-features-package```
The above command will install this package and required dependencies like any standard python package
**-------------------------------------------------------------------------------------------------------------------------------------------------------**
# Importing this package modules in Jupyter notebook
......
No preview for this file type
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment