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# Singularity container definitions for compiling/testing LAMMPS
The *.def files in this folder can be used to build container images
for [Singularity](https://sylabs.io), suitable for compiling and testing
LAMMPS on a variety of OS variants with support for most standard
packages and - for some of them - also building/spellchecking the manual
in all supported formats. This allows to test and debug LAMMPS code on
different OS variants without doing a full installation on your development
workstation, e.g. when bugs are reported that can only be reproduced on
a specific OS or with specific (mostly older) versions of tools,
compilers, or libraries.
Ready-to-use container images built from some these definition files are
occasionally uploaded to the container library at sylabs.io. They
can be found here: https://cloud.sylabs.io/library/lammps/default/lammps_development#
and will be signed with a GPG key that has the fingerprint:
EEA103764C6C633EDC8AC428D9B44E93BF0C375A
Here is a workflow for testing a compilation of LAMMPS with a locally
built CentOS 7.x singularity container.
```
cd some/work/directory
git clone --depth 500 https://github.com/lammps/lammps.git lammps
mkdir build-centos7
cd build-centos7
sudo singularity build centos7.sif ../tools/singularity/centos7.def
singularity exec centos7.sif bash --login
cmake -C ../cmake/presets/most.cmake ../cmake
make
```
And here is the equivalent workflow for testing a compilation of LAMMPS
using a pre-built Ubuntu 18.04LTS singularity container.
```
cd some/work/directory
git clone --depth 500 git://github.com/lammps/lammps.git lammps
mkdir build-ubuntu18
cd build-ubuntu18
singularity pull library://lammps/default/lammps_development:ubuntu18.04
singularity exec lammps_development_ubuntu18.04.sif bash --login
cmake -C ../cmake/presets/most.cmake ../cmake
make
```
| Currently available: | Description |
| ------------------------------ | ---------------------------------------------- |
| centos7.def | CentOS 7.x with EPEL enabled, no LaTeX |
| centos8.def | CentOS 8.x with EPEL enabled |
| fedora34_mingw.def | Fedora 34 with MinGW cross-compiler toolchain |
| ubuntu16.04.def | Ubuntu 16.04LTS with MPI == OpenMPI, no LaTeX |
| ubuntu18.04.def | Ubuntu 18.04LTS with MPI == OpenMPI |
| ubuntu18.04_amd_rocm.def | Ubuntu 18.04LTS with AMD ROCm toolkit |
| ubuntu18.04_gpu.def | Ubuntu 18.04LTS with -"- plus Nvidia CUDA 11.0 |
| ubuntu18.04_nvidia.def | Ubuntu 18.04LTS with Nvidia CUDA 11.0 toolkit |
| ubuntu18.04_intel_opencl.def | Ubuntu 18.04LTS with Intel OpenCL runtime |
| ubuntu20.04.def | Ubuntu 20.04LTS with MPI == OpenMPI |
| ubuntu20.04_amd_rocm.def | Ubuntu 20.04LTS with AMD ROCm toolkit |
| ubuntu20.04_gpu.def | Ubuntu 20.04LTS with -"- plus Nvidia CUDA 11.0 |
| ubuntu20.04_nvidia.def | Ubuntu 20.04LTS with Nvidia CUDA 11.0 toolkit |
| ubuntu20.04_intel_opencl.def | Ubuntu 20.04LTS with Intel OpenCL runtime |
| ------------------------------ | ---------------------------------------------- |
|
