Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Update installation #1030

Closed
rvhonorato opened this issue Sep 17, 2024 · 0 comments · Fixed by #1019, #1016 or #1013
Closed

Update installation #1030

rvhonorato opened this issue Sep 17, 2024 · 0 comments · Fixed by #1019, #1016 or #1013
Assignees
Labels
CI / repository Continuous integration or repository organization enhancement Enhancing an existing feature of adding a new one

Comments

@rvhonorato
Copy link
Member

Desired feature/enhancement

Simplify the installation

Motivation

The current installation involves quite a few steps, where you need to clone the repository, clone the fcc submodule, compile the fcc code, clone the fastrmsd-matrix submodule, compile the cade, install CNS (which is not trivial), make manual links and/or copy them to a hard-coded location.

All of this can be imensely simplified in a way we can simply pip install haddock3

Description

To simplify this installation a few steps are necessary.

  1. Remove submodules: One option is to just add the c/c++ code to this project
  2. Create a custom installation in setup.py: this can handle the compilation of the external code
  3. Skip CNS compilation by providing pre-compiled binaries - which can only be used for academic purposes, this is can also be handled in setup.py
  4. Update all references to the external code in their specific modules

Additional context

@rvhonorato rvhonorato added the enhancement Enhancing an existing feature of adding a new one label Sep 17, 2024
@rvhonorato rvhonorato self-assigned this Sep 17, 2024
@rvhonorato rvhonorato added the CI / repository Continuous integration or repository organization label Sep 17, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
CI / repository Continuous integration or repository organization enhancement Enhancing an existing feature of adding a new one
Projects
None yet
1 participant