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- pytest==6.2.4
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- pytest-cov==2.12.1
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+ boto3==1.17.97
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coverage==5.5
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- coveralls==3.1.0
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moto==2.0.10
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- boto3==1.17.97
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+ pytest-cov==2.12.1
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+ pytest==6.2.4
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- numpy == 1.20.3
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- scipy == 1.7.0
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+ custodian == 2021.2.8
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FireWorks == 1.9.7
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- pymatgen-analysis-diffusion == 2021.4.29
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+ maggma == 0.29.2
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monty == 2021.6.10
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- paramiko == 2.7.2
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- tqdm == 4.61.1
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- pybtex == 0.24.0
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- ruamel.yaml == 0.17.9
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- pandas == 1.2.5
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- pymatgen == 2022.0.10
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- custodian == 2021.2.8
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networkx == 2.5.1
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+ numpy == 1.20.3
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+ pandas == 1.2.4
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+ paramiko == 2.7.2
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pydash == 5.0.0
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+ pymatgen-analysis-diffusion == 2021.4.29
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+ pymatgen == 2022.0.10
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pyyaml == 5.4.1
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- maggma == 0.29.2
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- scikit-image == 0.18.1
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+ ruamel.yaml == 0.17.9
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+ scipy == 1.7.0
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+ tqdm == 4.61.1
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},
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zip_safe = False ,
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install_requires = [
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- "numpy" ,
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- "scipy" ,
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+ "custodian>=2019.8.24" ,
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"FireWorks>=1.4.0" ,
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- "pymatgen-analysis-diffusion>=2021.4.29 " ,
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+ "maggma>=0.26.0 " ,
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"monty>=2.0.6" ,
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- "paramiko" ,
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- "pandas" ,
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- "tqdm>=4.7.4" ,
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"networkx" ,
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- "pymatgen>=2020.9.14" ,
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- "custodian>=2019.8.24" ,
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+ "numpy" ,
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+ "pandas" ,
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+ "paramiko" ,
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"pydash>=4.1.0" ,
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+ "pymatgen-analysis-diffusion>=2021.4.29" ,
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+ "pymatgen>=2020.9.14" ,
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"pyyaml>=5.1.2" ,
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- "maggma>=0.26.0" ,
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+ "ruamel.yaml" ,
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+ "scipy" ,
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+ "tqdm>=4.7.4" ,
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],
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extras_require = {
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"plotting" : ["matplotlib>=1.5.2" ],
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"phonons" : ["phonopy>=1.10.8" ],
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"qchem" : ["openbabel" ],
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"complete" : [
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- "paramiko>=2.4.2" ,
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"matplotlib>=1.5.2" ,
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"phonopy>=1.10.8" ,
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"openbabel" ,
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