From 92a84e228b5b53623240ca07da17bf426ec5d9f2 Mon Sep 17 00:00:00 2001 From: openeuler_bot Date: Thu, 4 Dec 2025 09:24:40 +0000 Subject: [PATCH] 24.03-lts-sp2 update lammps to 29Aug2024 --- HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile | 25 +++++++++++++++++++ HPC/lammps/README.md | 1 + HPC/lammps/doc/image-info.yml | 1 + HPC/lammps/meta.yml | 3 +++ 4 files changed, 30 insertions(+) create mode 100644 HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile diff --git a/HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile b/HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile new file mode 100644 index 00000000..f79f6bee --- /dev/null +++ b/HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile @@ -0,0 +1,25 @@ +ARG BASE=openeuler/openeuler:24.03-lts-sp2 +FROM ${BASE} AS builder + +ARG VERSION=29Aug2024 + +RUN dnf update -y \ + && dnf install -y wget vim gcc-c++ make openmpi-devel mpich-devel \ + && dnf clean all \ + && rm -rf /var/cache/dnf + +WORKDIR /opt + +RUN wget https://github.com/lammps/lammps/archive/refs/tags/stable_${VERSION}.tar.gz \ + && tar -zxvf stable_${VERSION}.tar.gz \ + && rm -f stable_${VERSION}.tar.gz + +WORKDIR /opt/lammps-stable_${VERSION} + +RUN cp examples/melt/in.melt src/ + +WORKDIR /opt/lammps-stable_${VERSION}/src + +RUN make mpi + +CMD ["./lmp_mpi", "-in", "in.melt"] diff --git a/HPC/lammps/README.md b/HPC/lammps/README.md index 165deeba..e5f3f6e0 100644 --- a/HPC/lammps/README.md +++ b/HPC/lammps/README.md @@ -16,6 +16,7 @@ The tag of each `lammps` docker image is consist of the version of `lammps` and | Tag | Currently | Architectures | |--------------------------------------------------------------------------------------------------------------------------------------|---------------------------------------------|---------------| +|[29Aug2024-oe2403sp2](https://gitee.com/openeuler/openeuler-docker-images/blob/master/HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile) | lammps 29Aug2024 on openEuler 24.03-LTS-SP2 | amd64, arm64 | | [29Aug2024-oe2403sp1](https://gitee.com/openeuler/openeuler-docker-images/blob/master/HPC/lammps/29Aug2024/24.03-lts-sp1/Dockerfile) | lammps 29Aug2024 on openEuler 24.03-LTS-SP1 | amd64, arm64 | # Usage diff --git a/HPC/lammps/doc/image-info.yml b/HPC/lammps/doc/image-info.yml index cd93d827..23a85ea2 100644 --- a/HPC/lammps/doc/image-info.yml +++ b/HPC/lammps/doc/image-info.yml @@ -11,6 +11,7 @@ tags: | | Tag | Currently | Architectures | |----------|-------------|------------------| + |[29Aug2024-oe2403sp2](https://gitee.com/openeuler/openeuler-docker-images/blob/master/HPC/lammps/29Aug2024/24.03-lts-sp2/Dockerfile) | lammps 29Aug2024 on openEuler 24.03-LTS-SP2 | amd64, arm64 | |[29Aug2024-oe2403sp1](https://gitee.com/openeuler/openeuler-docker-images/blob/master/HPC/lammps/29Aug2024/24.03-lts-sp1/Dockerfile)| lammps 29Aug2024 on openEuler 24.03-LTS-SP1 | amd64, arm64 | download: | diff --git a/HPC/lammps/meta.yml b/HPC/lammps/meta.yml index a4a33b95..6288eeab 100644 --- a/HPC/lammps/meta.yml +++ b/HPC/lammps/meta.yml @@ -1,2 +1,5 @@ 29Aug2024-oe2403sp1: path: 29Aug2024/24.03-lts-sp1/Dockerfile + +29Aug2024-oe2403sp2: + path: 29Aug2024/24.03-lts-sp2/Dockerfile \ No newline at end of file -- Gitee