If the sandbox is disabled (as it is by default outside of nixos I believe) then yes, you need to be very careful that there is no outside state that leaks into your build (usually through environment variables, PATH but not only - GCC is a big offender here), which sounds like what happened in your case? For archival purposes you really should be enabling the sandbox.
Our approach was to make a script for nix-shell that would put the readers in an environment where they could run the code, compiling specific (old) versions of two research software packages. But I think the problem here is that in writing the derivations here, we didn't put gcc in the build inputs. So the system's compiler ended up being used, and with the old, finicky code, compiler flags needed to change. A frustration here is that it appears sandboxing can't be enabled for nix-shell, a problem that has been known for close to a decade [2]. But in our case, if we can get the build inputs to be reasonably complete on our own, it should improve the situation for our readers in the future.
[1]: https://github.com/DNA-and-Natural-Algorithms-Group/SST-sequ... [2]: https://github.com/NixOS/nix/issues/903
And it seems to be popular in science circles.
Was this using flakes or no?
Since you mention pinning, I'm guessing not.
An experience report, even if brief, would be very valuable to a Nix/NixOS community working seriously on reproducibility.
As researchers using nix derivations to preserve usability of code meant to be archived with our papers, we found that it was not particularly effective for this task. Even with nixpkgs pinning, our code failed to compile after only a few years. Outside of nixos itself, it does not appear that the build environment is the same; aspects of compilation change, and we ended up needing to change compiler flags a few years later, while expecting that we might need to again at some point.
Overall nix has been quite disappointing for us from an archival standpoint.