From 337067360485c29849ed71b364b0f3fb7c948e04 Mon Sep 17 00:00:00 2001 From: Xiaochen Du <2586793+xiaochendu@users.noreply.github.com> Date: Thu, 18 Jul 2024 14:37:24 -0400 Subject: [PATCH] TST: append LAMMPS paths --- .github/workflows/tests.yml | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index 4b93000..5746ec8 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -27,6 +27,16 @@ jobs: - name: Install pip dependencies run: | pip install -e '.[dev]' + - name: Append LAMMPS paths + run: | + echo "LAMMPS_POTENTIALS=$GITHUB_WORKSPACE/mcmc/potentials" >> $GITHUB_ENV + echo "LAMMPS_POTENTIALS=$LAMMPS_POTENTIALS" + + echo "LAMMPS_COMMAND=$CONDA/vssr-mc/bin/lmp" >> $GITHUB_ENV + echo "LAMMPS_COMMAND = $LAMMPS_COMMAND" + + echo "ASE_LAMMPSRUN_COMMAND=$LAMMPS_COMMAND" >> $GITHUB_ENV + echo "ASE_LAMMPSRUN_COMMAND = $ASE_LAMMPSRUN_COMMAND" - name: Test with pytest run: | pytest -rP --cov --cov-report=xml