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lines changed Original file line number Diff line number Diff line change @@ -33,18 +33,34 @@ $$ -->
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## Usage
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+ Please use mamba for fast download and installation
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+
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+ ``` sh
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+ conda install mamba -n base -c conda-forge
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+ ```
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+
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### Local Install
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- Linux only:
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+ * NIX systems only:
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+ Linux and MacOS
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+
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+ Remove all previous pydockrmsd installation
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+
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+ > If you have MacOS with apple silicon 'M' processor, please use manual installation.
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+ > Github Action cannot handle apple silicon yet
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+
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+ ``` bash
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+ pip uninstall pydockrmsd
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+ ```
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``` bash
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- conda env create --name pydockrmsd --file condaenv/requirement.yml
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+ mamba env create --name pydockrmsd --file condaenv/requirement.yml
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conda activate pydockrmsd
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- conda env update --name pydockrmsd --file condaenv/ci-cd.yml
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+ mamba env update --name pydockrmsd --file condaenv/ci-cd.yml --prune
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./scripts/install.sh
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```
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- ### Requirement
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+ ### Pypi install
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Build Requirement
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Original file line number Diff line number Diff line change
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+ # Copyright (c) 2021 Barre kevin - All rights reserved.
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channels :
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- defaults
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dependencies :
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- # Copyright (c) 2020 Aqemia - All rights reserved.
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+ # Copyright (c) 2021 Barre kevin - All rights reserved.
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channels :
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- defaults
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- conda-forge
@@ -10,4 +10,3 @@ dependencies:
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- pip
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- pip :
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- pyarrow
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- - table
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+ #! /usr/bin/env bash
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current_dir=" $( cd " $( dirname " ${BASH_SOURCE[0]} " ) " > /dev/null 2>&1 && pwd ) "
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. " $current_dir /info.sh" && \
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- python -m build . && \
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- # python -m cibuildwheel --platform linux \
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- # pip install --force dist/pydockrmsd-${version}-py3-none-any.whl && \
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- pip install --force dist/pydockrmsd-${version} -cp38-cp38-linux_x86_64.whl && \
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+ python setup.py bdist_wheel && \
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+ pip install --force dist/pydockrmsd-${version} -* .whl && \
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printf " pydockrmsd " && \
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python -c " import pydockrmsd; print(pydockrmsd.__version__, end='');" && \
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echo " correctly installed" ;
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- rm -r build/
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+ cd examples && python3 crystal_example.py
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