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environment.yml
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environment.yml
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name: r2d
channels:
- conda-forge
- matsci
dependencies:
- python
- numpy
- pip
- graphviz>=0.11.1
- RISE
- pythreejs>=2.0.2
- jupyter>=1.0.0
- jupyter-server-proxy
- pandas==0.23.4
- matplotlib
- pymatgen>=2019.7.30
- ruamel.yaml>=0.15.94
- pymongo>=3.8.0
- monty>=2.0.4
- tabulate>=0.8.3
- flask>=1.0.2
- flask-paginate>=0.5.1
- gunicorn>=19.9.0
- tqdm>=4.31.1
- dash>=1.0.2
- docutils<0.15,>=0.10
- redis>=2.10.6
- Flask-Caching>=1.3.3
- gevent>=1.4.0
- raven>=6.9.0
- mongomock>=3.14.0
- networkx>=2.0
- scikit-learn>=0.20.2
- toml>=0.10.0
- fuzzywuzzy[speedup]>=0.17.0
- bibtexparser>=1.1.0
- pybtex>=0.22.2
- latexcodec>=1.0.7
- bravado[fido]>=10.4.1
- service_identity>=18.1.0
- plotly>=3.10.0
- typing_extensions>=3.7.4
- msgpack-python>=0.5.6
- crochet>=1.10.0
- Twisted>=19.2.1
- jsonpointer>=2.0
- rfc3987>=1.3.8
- strict-rfc3339>=0.7
- webcolors>=1.9.1
- wrapt>=1.11.2
- zope.interface>=4.6.0
- constantly>=15.1.0
- incremental>=17.5.0
- Automat>=0.7.0
- hyperlink>=19.0.0
- PyHamcrest>=1.9.0
- pip:
- fido>=4.2.2
- yelp_encodings>=0.1.3
- yelp_bytes>=0.3.0
- nbzip
- nbgitpuller
- atomate
- maggma
- matminer>=0.5.0
- dash-auth>=1.3.2
- dash-katex>=0.0.1
- dash-dangerously-set-inner-html>=0.0.2
- archieml>=0.3.4
- robocrys>=0.1.3
- habanero>=0.6.2
- fireworks @ git+https://github.com/tschaume/fireworks#egg=fireworks
- crystal-toolkit @ git+https://github.com/jmmshn/crystaltoolkit@mp_workshop2019#egg=crystal-toolkit