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export PATH=$HOME/miniconda3/bin:$PATH
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conda create --name test_env python=3.8
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source activate test_env
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- conda install -c conda-forge openbabel pymatgen
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+ conda install -c conda-forge openbabel
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pip install -r requirements-ci.txt
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pip install .
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no_output_timeout : 1h
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+ git+git://github.com/samblau/pymatgen@qchem#egg=pymatgen
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+ git+git://github.com/samblau/custodian@qchem#egg=custodian
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boto3==1.17.97
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coverage==5.5
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moto==2.0.10
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- git+git://github.com/samblau/pymatgen@qchem#egg=pymatgen
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- git+git://github.com/samblau/custodian@qchem#egg=custodian
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+ custodian == 2022.1.17
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FireWorks == 1.9.7
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maggma == 0.44.0
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monty == 2021.6.10
@@ -9,6 +8,7 @@ pandas==1.2.5
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paramiko == 2.10.1
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pydash == 5.0.0
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pymatgen-analysis-diffusion
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+ pymatgen
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pymongo
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pyyaml == 5.4.1
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ruamel.yaml == 0.17.9
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