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Updated CNS installation instructions #895

Merged
merged 21 commits into from
May 27, 2024
Merged

Updated CNS installation instructions #895

merged 21 commits into from
May 27, 2024

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amjjbonvin
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@amjjbonvin amjjbonvin commented May 22, 2024

You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:

  • You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
  • Your PR is about CNS
  • Your code is well documented: proper docstrings and explanatory comments for those tricky parts
  • You structured the code into small functions as much as possible. You can use classes if there is a (state) purpose
  • Your code follows our coding style
  • You wrote tests for the new code
  • tox tests pass. Run tox command inside the repository folder
  • -test.cfg examples execute without errors. Inside examples/ run python run_tests.py -b
  • PR does not add any dependencies, unless permission granted by the HADDOCK team
  • PR does not break licensing
  • Your PR is about writing documentation for already existing code 🔥
  • Your PR is about writing tests for already existing code :godmode:

"This PR improves the readablity of the CNS installation instructions and also changes the folder structure of the patched CNS files" @rvhonorato

@amjjbonvin amjjbonvin marked this pull request as draft May 22, 2024 08:01
@amjjbonvin amjjbonvin self-assigned this May 22, 2024
@amjjbonvin amjjbonvin added the documentation Improve docs label May 22, 2024
@amjjbonvin amjjbonvin marked this pull request as ready for review May 22, 2024 09:09
@rvhonorato rvhonorato self-assigned this May 22, 2024
@rvhonorato rvhonorato removed their request for review May 22, 2024 17:14
@amjjbonvin amjjbonvin requested a review from VGPReys May 23, 2024 05:58
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ping @VGPReys @AnnaKravchenko

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amjjbonvin commented May 27, 2024 via email

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amjjbonvin commented May 27, 2024 via email

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Amazing job Alex !
Managed to compile CNS on my MAC M2 !

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@AnnaKravchenko AnnaKravchenko left a comment

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Very cool, managed to compile CNS all by myself for the first time!
There are several minor suggestions + typos, otherwise it’s perfect.

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```bash
ls ~/software/cns_solve_1.3/instlib/machine/supported/*/Makefile*gfortran*
```
Several `Makefile` headers are already provided - here we will use on the one that uses `gfortran` as the compiler.
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typo: on the one -> only the one

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amjjbonvin commented May 27, 2024 via email

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Yeah, then let’s just keep it as is. After all it’s trivial to make changes manually.

Does work on my Mac under tcsh, but not under bash… And there are some character issues for ‘ and #

Should we add sed -i '' 's@CNSsolve_location@'"$PWD"'@‘ cns_solve_env as an alternative to installing gnu-sed on Mac? But also idk if it works in general or only ‘on my machine’

@amjjbonvin amjjbonvin merged commit 2fce645 into main May 27, 2024
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@amjjbonvin amjjbonvin deleted the CNS-installation branch May 27, 2024 17:29
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4 participants