From 672f1f0bd06d302a3773731d3bbc18d7176c5d4b Mon Sep 17 00:00:00 2001 From: Xiaochen Du <2586793+xiaochendu@users.noreply.github.com> Date: Thu, 18 Jul 2024 15:14:30 -0400 Subject: [PATCH] TST: update setting ASE_LAMMPSRUN_COMMAND in GitHub workflow --- .github/workflows/tests.yml | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index 03a2817..97e15cd 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -31,7 +31,7 @@ jobs: run: | echo "LAMMPS_POTENTIALS=$GITHUB_WORKSPACE/mcmc/potentials" >> $GITHUB_ENV echo "LAMMPS_COMMAND=$CONDA/vssr-mc/bin/lmp" >> $GITHUB_ENV - echo "ASE_LAMMPSRUN_COMMAND=$LAMMPS_COMMAND" >> $GITHUB_ENV + echo "ASE_LAMMPSRUN_COMMAND=$CONDA/vssr-mc/bin/lmp" >> $GITHUB_ENV - name: Check LAMMPS paths run: | echo "LAMMPS_POTENTIALS = $LAMMPS_POTENTIALS" @@ -39,5 +39,4 @@ jobs: echo "ASE_LAMMPSRUN_COMMAND = $ASE_LAMMPSRUN_COMMAND" - name: Test with pytest run: | - pytest -rP - # pytest -rP --cov --cov-report=xml + pytest --capture=no --cov --cov-report=xml