Remove emmet-core down-pin causing ecosystem clash

[janosh]

the down-pin on emmet-core causes incompatibility with atomate2 in materialsproject/atomate2#1079:

 × No solution found when resolving dependencies:
  ╰─▶ Because mattersim==1.0.0rc9 depends on emmet-core<0.84 and
      atomate2[strict-forcefields]==0.0.1 depends on mattersim==1.0.0rc9,
      we can conclude that atomate2[strict-forcefields]==0.0.1 depends on
      emmet-core<0.84.
      And because atomate2==0.0.1 depends on emmet-core>=0.84.3rc3, we can
      conclude that atomate2[strict-forcefields]==0.0.1 is incompatible.
      And because only atomate2[strict-forcefields]==0.0.1 is available and
      you require atomate2[strict-forcefields], we can conclude that your
      requirements are unsatisfiable.

this PR changes the max-version to a min-version for emmet-core and removes all strict pins (== -> >=) to make mattersim more flexible and less likely to clash with other packages

[yanghan234]

Thank you, @janosh. I will test to see if this causes any conflicts in our repository. Please stay tuned.

[janosh]

Thanks for merging! Could we get a new release to unblock atomate2 integration?

[yanghan234]

Hi @janosh, I just released a release candidate. Please try it in atomate2 and see if it works now. Let me know if further modification is needed.

[janosh]

thanks @yanghan234. looks like the RC solved the issue. 👍

there's still an incompatibility with mace-torch but i think that needs to be solved on the MACE side. pinging @ilyes319 to suggest a mace-torch release that relaxes the e3nn pin to e3nn>=0.4.4

  × No solution found when resolving dependencies:
  ╰─▶ Because mace-torch>=0.3.6 depends on e3nn==0.4.4 and only the following
      versions of mace-torch are available:
          mace-torch<=0.3.6
          mace-torch==0.3.7
          mace-torch==0.3.8
          mace-torch==0.3.9
      we can conclude that mace-torch>=0.3.6 depends on e3nn==0.4.4.
      And because mattersim==1.0.1rc1 depends on e3nn>=0.5.0, we can conclude
      that mace-torch>=0.3.6 and mattersim==1.0.1rc1 are incompatible.