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remove more lammps related things
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Ragzouken committed Oct 10, 2024
1 parent f370e5f commit beb071d
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Showing 9 changed files with 2 additions and 6,903 deletions.
2 changes: 1 addition & 1 deletion .github/workflows/conda.yml
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Expand Up @@ -77,7 +77,7 @@ jobs:
with:
name: conda-packages
- name: Install NanoVer
run: conda install -y -c conda-forge -c ./conda-bld mpi4py nanover-server
run: conda install -y -c conda-forge -c ./conda-bld nanover-server
- name: Install tests dependancies
run: python -m pip install -r python-libraries/requirements.test
- name: Parallel tests
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2 changes: 1 addition & 1 deletion .github/workflows/tests.yml
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Expand Up @@ -41,7 +41,7 @@ jobs:
auto-update-conda: true
miniforge-version: latest
- name: Install nanover dependancies
run: conda install -y mpi4py openmm
run: conda install -y openmm
- name: Install tests dependancies
run: python -m pip install -r python-libraries/requirements.test
- name: Compile (mypy requires --no-edit)
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2 changes: 0 additions & 2 deletions .gitignore
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Expand Up @@ -46,5 +46,3 @@ examples/ase/neuraminidase_nanover.xml
examples/fundamentals/.ipynb_checkpoints/

examples/examples/lmp

examples/examples/log\.lammps
10 changes: 0 additions & 10 deletions compile.sh
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Expand Up @@ -43,16 +43,6 @@ if [[ ! -z "${edit_option}" ]]; then
fi

if [[ $with_python == true ]]; then
# mpi4py (required for nanover-lammps) needs MPI to be installed on the system.
python -c "import mpi4py" 2>&1 >/dev/null || {
announce "The mpi4py library is required but cannot be found."
announce "Because it requires a system library, it is not installed by this"
announce "script; you have to install it yourself."
announce "If you are using conda, install mpi4py by running"
announce "conda install -c conda-forge mpi4py"
exit 1
}

announce "Installing python requirements"
python -m pip install -r ./python-libraries/nanover-core/requirements.txt ${user_option}

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6,531 changes: 0 additions & 6,531 deletions examples/lammps/data.peptide

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47 changes: 0 additions & 47 deletions examples/lammps/in.fix_python_invoke

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46 changes: 0 additions & 46 deletions examples/lammps/in.fix_python_invoke_call

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54 changes: 0 additions & 54 deletions examples/lammps/in.peptide

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