Giter Site home page Giter Site logo

Comments (8)

ltalirz avatar ltalirz commented on June 29, 2024 1

Oh I see - in that case all good!

from aiida-lammps.

ltalirz avatar ltalirz commented on June 29, 2024
  • add the "Framework::AiiDA" classifier to the setup.json

from aiida-lammps.

JPchico avatar JPchico commented on June 29, 2024

I think all the entry points already start with lammps is there anything else that needs to be changed @chrisjsewell ?

from aiida-lammps.

ltalirz avatar ltalirz commented on June 29, 2024

Hey @JPchico , see here

aiida-lammps/setup.json

Lines 46 to 56 in 8f61854

"dynaphopy = aiida_lammps.parsers.dynaphopy: DynaphopyParser"
],
"aiida.data": [
"lammps.potential = aiida_lammps.data.potential:EmpiricalPotential",
"lammps.trajectory = aiida_lammps.data.trajectory:LammpsTrajectory"
],
"lammps.potentials": [
"eam = aiida_lammps.data.pot_plugins.eam:EAM",
"lennard_jones = aiida_lammps.data.pot_plugins.lennard_jones:LennardJones",
"reaxff = aiida_lammps.data.pot_plugins.reaxff:Reaxff",
"tersoff = aiida_lammps.data.pot_plugins.tersoff:Tersoff"

from aiida-lammps.

chrisjsewell avatar chrisjsewell commented on June 29, 2024

Yeh it was only dynaphopy and that has been removed in the develop

from aiida-lammps.

ltalirz avatar ltalirz commented on June 29, 2024

[project.entry-points."lammps.potentials"]
"eam" = "aiida_lammps.data.pot_plugins.eam:EAM"
"lennard_jones" = "aiida_lammps.data.pot_plugins.lennard_jones:LennardJones"
"reaxff" = "aiida_lammps.data.pot_plugins.reaxff:Reaxff"
"tersoff" = "aiida_lammps.data.pot_plugins.tersoff:Tersoff"

from aiida-lammps.

JPchico avatar JPchico commented on June 29, 2024

@ltalirz those potential types are going to be deprecated in the refactoring that we are doing, instead a single "lammps.lammps_potential" = "aiida_lammps.data.lammps_potential:LammpsPotentialData" will remain to take care of all the different potential types in a more general manner.

from aiida-lammps.

chrisjsewell avatar chrisjsewell commented on June 29, 2024

Yep but that is a lammps specific entry point group @ltalirz, not to do with aiida (I.e.there is no risk of clashes)

from aiida-lammps.

Related Issues (20)

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.