Page Comparison

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1. Navigate to the Releases page for openff-benchmark.

2. For the most recent release in the list, click on the Assets dropdown, and download the ubuntu-latest_py3.7.sh.zip file. This is ~1GB, so the download may take a moment.

3. Upload the file to your compute environment/cluster.

4. Unzip with unzip ubuntu-latest_py3.7.sh.zip.

5. Run the installer with: bash <unzippedopenff-benchmark-dir*/installopenff-benchmark-script*.sh> sh -b -p openff-benchmark-miniconda, substituting the name of the unzipped directory and the install script.

6. Add conda executable to your environment with source openff-benchmark-miniconda/etc/profile.d/conda.sh.

7. Activate the base environment with conda activate. This will be the name of your environment instead of openff-benchmark-optimization, which you will see used elsewhere.

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If you used the single-file installer approach, you will need to remove or rename the openff-benchmark-miniconda directory created from installation and repeat the install instructions above.

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