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update README.md and Dockerfile
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ZLI-afk committed Mar 28, 2024
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2 changes: 1 addition & 1 deletion README.md
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<div style="text-align: center;">
<img src="./docs/images/logo.png" style="zoom: 4%;">
<img src="./docs/images/logo.png" style="zoom: 15%;">
</div>

# APEX: Alloy Property EXplorer using simulations
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5 changes: 3 additions & 2 deletions docs/Dockerfile
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Expand Up @@ -5,10 +5,11 @@ RUN pip install monty -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install pymatgen>=2023.8.10 -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install pymatgen.analysis.defects>=2023.8.22 -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install phonopy -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install seekpath -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install dpdispatcher -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install pydflow -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install pydflow>=1.7.83 -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install urllib3 -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install dpdata -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install dpdata>=0.2.13 -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install dargs -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install fpop>=0.0.7 -i https://pypi.tuna.tsinghua.edu.cn/simple
RUN pip install boto3 -i https://pypi.tuna.tsinghua.edu.cn/simple

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