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automech-toolbox

This repository contains source code and build scripts for static executables used by AutoMech. It also contains a recipe for a conda package that places these executables in a user's bin. You will need rattler-build installed (instructions here) to build and upload the conda package. The following instructions will guide you through the process.

Build

  1. Update the version number in <recipe directory>/recipe.yaml with today's date (YYYY.MM.DD)
  2. Run the following command. Look for /path/to/file.conda in the output and copy the path for the steps below.
rattler-build build -r <recipe directory>

Upload

  1. If you haven't already, navigate to https://anaconda.org/ to create an API token for yourself. Save it in a secure location where you can access it.
  2. Run the following commands to upload the package.
export ANACONDA_API_KEY=<API token>
rattler-build upload anaconda -o Auto-Mech /path/to/file.conda

Test

To test that build worked, you can create an environment from your local copy of the conda package as follows.

conda create -n test /path/to/file.conda

Alternatively, you can test that the upload worked by getting the conda package from Anaconda.org as follows.

conda create -n test -c auto-mech <package name>

You can test that it worked as follows.

conda activate test  # Or . /path/to/conda/bin/activate test
which <executable name>  # The executables should appear in your environment bin
# Then, run the executables to test that they work

On subsequent tests, use the following commands to remove the environment and clear the cache before creating the test environment. Clearing the cache is important. If the version number hasn't changed and you don't clear the cache, conda will use its own archived copy of your package instead of the newly created one.

conda env remove -n test
conda clean --all  # Remove the cached version of test-mess

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