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nelse003 / exhaustive_search

Testing exhaustive search algorithms for crystallographic occupancy refinement and surrounding problems
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numpy needs libgfortran3 installed #72

Closed nelse003 closed 6 years ago

nelse003 commented 6 years ago

This now seems related to the pandda pip install not working/ being sourced, as the onyl failure is to get the correct path to a panddas object: from giant.structure.restraints.occupancy import overlapping_occupancy_groups ImportError: No module named restraints.occupancy

This works in ccp4-python @ diamond, under xchem paths

nelse003 commented 6 years ago

Going to look to store build on docker hub to speed up failure?

https://medium.com/mobileforgood/coding-tips-patterns-for-continuous-integration-with-docker-on-travis-ci-9cedb8348a62