29 lines
1.2 KiB
Markdown
29 lines
1.2 KiB
Markdown
# Apptainer (aka Singularity) container definitions for compiling/testing LAMMPS
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The *.def files in this folder can be used to build container images
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for [Apptainer](https://apptainer.org) (previously called
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[Singularity](https://sylabs.io)), suitable for compiling and testing
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LAMMPS on a variety of OS variants with support for most standard
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packages and - for some of them - also building/spellchecking the manual
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in all supported formats. This allows to test and debug LAMMPS code on
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different OS variants without doing a full installation on your development
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workstation, e.g. when bugs are reported that can only be reproduced on
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a specific OS or with specific (mostly older) versions of tools,
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compilers, or libraries.
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Here is a workflow for testing a compilation of LAMMPS with a locally
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built CentOS 7.x Singularity container. For Apptainer replace the
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`singularity` command with `apptainer`.
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```
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cd some/work/directory
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git clone --depth 500 https://github.com/lammps/lammps.git lammps
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mkdir build-centos7
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cd build-centos7
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sudo singularity build centos7.sif ../tools/singularity/centos7.def
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singularity exec centos7.sif bash --login
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cmake -C ../cmake/presets/most.cmake ../cmake
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make
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```
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