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lammps: add versions and packages Feb-Jun 2022 (#31369)

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Marco De La Pierre 2022-07-05 17:14:28 +08:00 committed by GitHub
parent 8cf7241b64
commit d71bbf036f
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1 changed files with 15 additions and 3 deletions
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18
var/spack/repos/builtin/packages/lammps/package.py
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@ -23,6 +23,11 @@ class Lammps(CMakePackage, CudaPackage):
tags = ['ecp', 'ecp-apps']
version('develop', branch='develop')
version('20220623', sha256='21533ce6f174c80815a48c99e5f3dd109e69d55c4cad47312d88a7190a35927f')
version('20220602', sha256='3e8f54453e53b3b387a68317277f832b8cf64a981e64b21e98bb37ea36ac4a60')
version('20220504', sha256='fe05bae8090fd0177b3c1b987cd32a9cb7cd05d790828ba954c764eb52e10b52')
version('20220324', sha256='d791cc93eedfc345fdf87bfa5b6f7e17e461f86ba197f9e9c3d477ce8657a7ef')
version('20220217', sha256='e5bd2bf325835fa98d1b95f0667c83076580916027df5b8109d5470d1b97da98')
version('20220107', sha256='fbf6c6814968ae0d772d7b6783079ff4f249a8faeceb39992c344969e9f1edbb')
version('20211214', sha256='9f7b1ee2394678c1a6baa2c158a62345680a952eee251783e3c246b3f12db4c9')
version('20211027', sha256='c06f682fcf9d5921ca90c857a104e90fba0fe65decaac9732745e4da49281938')
@ -83,9 +88,9 @@ def url_for_version(self, version):
# List of supported optional packages
# Note: package `openmp` in this recipe is called `openmp-package`, to avoid clash
# with the pre-existing `openmp` variant
supported_packages = ['asphere', 'body', 'class2', 'colloid', 'compress',
'coreshell', 'dielectric', 'dipole', 'granular', 'kspace',
'kokkos', 'latte', 'manybody', 'mc', 'meam', 'misc',
supported_packages = ['asphere', 'body', 'bpm', 'class2', 'colloid', 'compress',
'coreshell', 'dielectric', 'dipole', 'electrode', 'granular',
'kspace', 'kokkos', 'latte', 'manybody', 'mc', 'meam', 'misc',
'mliap', 'ml-iap', 'ml-snap', 'molecule', 'mpiio',
'opt', 'peri', 'plugin', 'poems', 'python', 'qeq', 'replica',
'rigid', 'shock', 'snap', 'spin', 'srd', 'voronoi',
@ -217,6 +222,13 @@ def url_for_version(self, version):
conflicts(
'+dpd-basic', when='@:20210527',
msg='+dpd-basic only supported for version 20210702 and later')
conflicts(
'+bpm', when='@:20220324',
msg='+bpm only supported for version 20220504 and later')
conflicts(
'+electrode', when='@:20220324',
msg='+electrode only supported for version 20220504 and later')
conflicts('+electrode', when='~kspace')
conflicts('+mliap', when='~snap')
conflicts('+ml-iap', when='~ml-snap')
conflicts(