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salilab / IHMValidation

Validation software for integrative models deposited to PDB
MIT License
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Freeze Molprobity version in the deployment script #72

Open aozalevsky opened 7 months ago

aozalevsky commented 7 months ago

Molprobity uses a rolling release model which makes it very hard to have a stable deployment-from-scratch script.

The culprit:

  1. The recommended Molprobity installation way right now is with a bootstrap script.

  2. The script pulls data from master branches of multiple repositories:

https://github.com/rlabduke/MolProbity/blob/2ce1fdb13eb4d874cd1053da9032924c3305269f/install_via_bootstrap.sh#L32-L39

  1. The script also calls another bootstrap script:

https://github.com/rlabduke/MolProbity/blob/2ce1fdb13eb4d874cd1053da9032924c3305269f/install_via_bootstrap.sh#L44-L46

which internally pulls more git repositories

https://github.com/cctbx/cctbx_project/blob/7b32060a735f8f1d210fb34965f89e828150f29e/libtbx/auto_build/bootstrap.py#L1021-L1038

Thus it's not possible to freeze the Molprobity version except as a compiled singularity image.

Technically we can try reworking both installation scripts, but hopefully Molprobity team will adopt a different release scheme.