marian-code / lammps-dp-feedstock

A conda-smithy repository for lammps-dp.

About lammps-dp-and-library

Home: http://lammps.sandia.gov

Package license: GPL-2.0

Feedstock license: BSD-3-Clause

Summary: LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.

Development: https://github.com/lammps/lammps

Documentation: http://lammps.sandia.gov/doc/Manual.html

LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel computers. It was developed at Sandia National Laboratories, a US Department of Energy facility, with funding from the DOE. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL).

Current build status

Azure

Variant Status linux_64_cuda_compiler_version10.0float_prechigh linux_64_cuda_compiler_version10.0float_preclow linux_64_cuda_compiler_version10.1float_prechigh linux_64_cuda_compiler_version10.1float_preclow linux_64_cuda_compiler_version9.2float_prechigh linux_64_cuda_compiler_version9.2float_preclow linux_64_cuda_compiler_versionNonefloat_prechigh linux_64_cuda_compiler_versionNonefloat_preclow

Current release info

Name	Downloads	Version	Platforms

Installing lammps-dp-and-library

Installing lammps-dp-and-library from the deepmodeling channel can be achieved by adding deepmodeling to your channels with:

conda config --add channels deepmodeling

Once the deepmodeling channel has been enabled, lammps-dp, liblammps-dp, pylammps-dp can be installed with:

conda install lammps-dp liblammps-dp pylammps-dp

It is possible to list all of the versions of lammps-dp available on your platform with:

conda search lammps-dp --channel deepmodeling

Updating lammps-dp-and-library-feedstock

If you would like to improve the lammps-dp-and-library recipe or build a new package version, please fork this repository and submit a PR. Upon submission, your changes will be run on the appropriate platforms to give the reviewer an opportunity to confirm that the changes result in a successful build. Once merged, the recipe will be re-built and uploaded automatically to the deepmodeling channel, whereupon the built conda packages will be available for everybody to install and use from the deepmodeling channel. Note that all branches in the deepmd-kit-recipes/lammps-dp-and-library-feedstock are immediately built and any created packages are uploaded, so PRs should be based on branches in forks and branches in the main repository should only be used to build distinct package versions.

In order to produce a uniquely identifiable distribution:

• If the version of a package is not being increased, please add or increase the build/number.
• If the version of a package is being increased, please remember to return the build/number back to 0.

Feedstock Maintainers

• @njzjz