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 0000000000000000000000000000000000000000..f79f6bee36e31d1de67ee9d46031c9c1f9b78948 --- /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 165deebabeaf1df99eb49ada68a2dc0a0bfd2ffb..e5f3f6e09683797b45023dea7cfb1e764984de92 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 cd93d8278b73279fdaab4440c2739bc6119bfb10..23a85ea2938f406f466c5b8351e0dc74544965a6 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 a4a33b95ca3b17370c70475a2d65b7502b49458b..6288eeaba3412d93185dccea7c39f170f1625fb1 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