DOCK 3.8:How to build a release: Difference between revisions
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1. Build desired version of [[pydock3]] Python package (e.g., build pip-installable wheel file using [[Python Poetry|poetry]]). | 1. Build desired version of [[pydock3]] Python package (e.g., build pip-installable wheel file using [[Python Poetry|poetry]]). | ||
* this can all be done on gimel2 | |||
* git clone https://github.com/docking-org/pydock3.git | |||
* cd pydock3 | |||
* git submodule update --init --recursive | |||
( you need to authenticate, and you need to have generated token) | |||
* use the generated token as your password | |||
* run poetry, e.g. | |||
* ~isknight/.local/bin/poetry build | |||
* pip install dist/pydock3-0.1.0rc1-py3-none-any.whl | |||
2. Clone desired version of [[dock3]] program. | 2. Clone desired version of [[dock3]] program. | ||
* git clone https://github.com/docking-org/dock3.git | |||
* ssh psi | |||
3. Incorporate the fruits of (1) and (2) into [[DOCK3.8]] repository housing an arsenal of scripts (e.g., 3D build scripts, post-processing scripts) that are essential for following the [https://www.nature.com/articles/s41596-021-00597-z published Nature protocol]. | 3. Incorporate the fruits of (1) and (2) into [[DOCK3.8]] repository housing an arsenal of scripts (e.g., 3D build scripts, post-processing scripts) that are essential for following the [https://www.nature.com/articles/s41596-021-00597-z published Nature protocol]. | ||
Revision as of 20:51, 22 February 2024
This page describes the formal definition of a release of the UCSF DOCK software suite
1. Build desired version of pydock3 Python package (e.g., build pip-installable wheel file using poetry).
- this can all be done on gimel2
- git clone https://github.com/docking-org/pydock3.git
- cd pydock3
- git submodule update --init --recursive
( you need to authenticate, and you need to have generated token)
- use the generated token as your password
- run poetry, e.g.
- ~isknight/.local/bin/poetry build
- pip install dist/pydock3-0.1.0rc1-py3-none-any.whl
2. Clone desired version of dock3 program.
- git clone https://github.com/docking-org/dock3.git
- ssh psi
3. Incorporate the fruits of (1) and (2) into DOCK3.8 repository housing an arsenal of scripts (e.g., 3D build scripts, post-processing scripts) that are essential for following the published Nature protocol.
A particular commit of the DOCK3.8 repository formally becomes a particular distribution of UCSF DOCK software when the commit is tagged with the distribution's semantic version (e.g., DOCK3.8 v1.2.0). Note that pydock3 and dock3 are separately versioned from DOCK3.8.