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snurr-group / mofid

A system for rapid identification and analysis of metal-organic frameworks
https://snurr-group.github.io/mofid/
GNU General Public License v2.0
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pip install can be slow #18

Open bbucior opened 5 years ago

bbucior commented 5 years ago

The installation step pip install . can run slowly depending on the project environment. The root cause is in pip (https://github.com/pypa/pip/issues/2195). Any source files under the parent directory (including the .git folder) are copied as part of the installation process. Therefore, if subdirectories like Data, Notebooks, Output, etc., are large, then pip will have to copy many files.

A workaround recommended in the Github issue is to use the -e (--editable) flag. The resulting symlinks work on my laptop but not the .travis.yml file for some reason. See the mofid pip branch for some failed attempts at resolving this issue.

bbucior commented 5 years ago

Another workaround I've been using on the HPC cluster: since I save my CIFs in ./Data, I tend to run something like module load python; mv Data ../temp-Data; pip install --user .; mv ../temp-Data Data