lammps and python312Packages.lammps related fixes #342532
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doronbehar
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markuskowa
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Makes this warning by PyLammps go away: > WARNING: run thermo data not captured since PYTHON LAMMPS package is not enabled
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markuskowa
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LGTM.
Sorry for the delay. The pkgs/by-name infrastructure is not my area of expertise. I'll leave that to @infinisil to make architectural decisions.
It's OK, no need to be sorry :). This was an open debate that legitimately held this PR open. Now we can discuss it elsewhere (in #342621) |
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Found out this was needed when trying to override the python package to use a LAMMPS compiled with GPU support.
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nix.conf? (See Nix manual)nix-shell -p nixpkgs-review --run "nixpkgs-review rev HEAD". Note: all changes have to be committed, also see nixpkgs-review usage./result/bin/)Add a 👍 reaction to pull requests you find important.