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Add micromamba instructions to loc file install docs #86
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@mikemhenry please do ping me when it's ready to review! |
@IAlibay ready for review! |
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Mostly looks good to me, just the two things.
docs/source/installation.rst
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$ micromamba create -n openfe --file openfe-1.0.1-conda-lock.yml | ||
$ micromamba activate openfe | ||
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If ``micromamba`` is not available, ``conda`` or ``mamba`` may be used after installing ``conda-lock``. |
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This section is a bit confusing - do you think it would be better if we broke this into two sections? I.e. one "conda-lock
with micromambaand
classical conda-lock
" or something like that?
That way if it doesn't work for one we tell folks to look at the other section.
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Yes I will re-write it like that, sometimes I don't want to kill my darlings -- but an more thorough rewrite makes more sense
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
When using https for anaconda channels, it prints them twice: conda-forge/linux-64 Using cache conda-forge/noarch Using cache conda-forge/linux-64 Using cache conda-forge/noarch Using cache Instead if you use `- conda-forge` it prints them once conda-forge/linux-64 Using cache conda-forge/noarch Using cache IDK why
@IAlibay ready for re-review! I think the section is more clear, I also added a link to testing the installation at the end of each section. I also made the or bold to make it clear if you create an env with a lock file, you don't need to also use the single file installer. |
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lgtm! thanks @mikemhenry !
Input submission checklist
input_structures/prepared_structures/<set_name>/<system_name>
For each submitted directory:
PREPARATION_DETAILS.md
fileprotein.pdb
cofactors.sdf
ligands.sdf
and removed any duplicate binding modes or protonation states, keeping the more favorable stateSummary of changes
Licensing agreement