+1
@acmnpv where's the AMD Clang ROCm 7.1.0 build used? The post-merge I triggered doesn't have it: https://gitlab.com/gromacs/gromacs/-/pipelines/2394123119
Vedran Miletić (a7aff181) at 18 Mar 18:44
Jump over to team red in attempt to avoid post-merge failure
Adds gmxcitations Sphinx extension that parses references.rst and injects citation text as hover tooltips on citation links via CSS.
sphinx-hoverxref was considered but requires Read the Docs hosting; this approach is fully static and works on manual.gromacs.org.
Fixes #4913
I believe the result was the same.
This works without JavaScript, but you still added a placeholder JS file, why?
Might be nitpicking here, but I find this unidiomatic and would prefer something along the lines of:
cmapType.atomTypes_[i] = std::move(cmapBondAtomType.value());
cmapBondAtomType.reset();Nit: probably not necessary?
Yep, good catch
Nice!
Vedran Miletić (a6a84751) at 16 Mar 10:46
Added missing cstdint header
Vedran Miletić (e8b8c9bb) at 16 Mar 10:28
Apply 2 suggestion(s) to 2 file(s)
... and 65 more commits
Vedran Miletić (f6c8755b) at 16 Mar 10:26
Not debug but release with debug info
... and 47 more commits
As I said earlier, I prefer that we ship AMBER19SB-IUPAC. I left some more review comments.
Perhaps "Amber ff19SB with original/IUPAC hydrogen naming"?
Could you rather write "if tp is 6" in chemical terms?
Nit: revert deletion of this line
This should be moved to 2027