mirror of https://github.com/abinit/abipy.git
29 lines
1.0 KiB
Bash
Executable File
29 lines
1.0 KiB
Bash
Executable File
#!/bin/bash
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set -e # exit on first error
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echo "Installing AbiPy dependencies with conda."
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echo "Adding conda-forge, matsci and abinit to channels"
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echo "Working in CONDA_PREFIX: ${CONDA_PREFIX} ..."
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conda config --add channels conda-forge
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conda config --add channels matsci
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conda config --add channels abinit
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echo "Installing requirements listed requirements.txt and requirements-optional.txt ..."
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# https://github.com/ContinuumIO/anaconda-issues/issues/542
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conda install -y -c anaconda setuptools
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conda install nomkl
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conda install -y --file ./requirements.txt
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conda install -y --file ./requirements-optional.txt
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conda install -c conda-forge graphviz python-graphviz
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echo "Installing bader executable (http://theory.cm.utexas.edu/henkelman/code/bader/) from matsci ..."
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conda install -y -c matsci bader
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echo "Installing abinit from abinit channel ..."
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#conda install -y -c gmatteo abinit=${ABINIT_VERSION}
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conda install -y -c abinit abinit=${ABINIT_VERSION}
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abinit --version
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abinit --build
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echo "Installation completed" |