forked from lijiext/lammps
29 lines
1.1 KiB
Markdown
29 lines
1.1 KiB
Markdown
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# 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 [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 packages
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and building/spellchecking the manual. This allows to test and debug
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LAMMPS code on different OS variants than what is locally installed on
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your development workstation, e.g. when bugs are reported that can only
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be reproduced on a specific OS or with specific (mostly older) versions
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of tools, compilers, or libraries.
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Here is a workflow for testing a compilation of LAMMPS with a CentOS 7.x container.
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```
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cd some/work/directory
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git clone --depth 500 git://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 shell centos7.sif
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cmake ../cmake -C ../cmake/presets/most.cmake -DCMAKE_CXX_FLAGS="-O3 -g -fopenmp -std=c++11"
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make
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```
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| Currently available: | |
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| --- | --- |
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| centos7.def | CentOS 7.x with EPEL enabled |
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| ubuntu18.04.def | Ubuntu 18.04LTS with default MPI == OpenMPI |
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