chore(ci): try finding benchmarks better

Author: HaoZeke

.github/workflows/ci_benchmark.yml

@@ -37,7 +37,7 @@ jobs:
 
       - name: Initialise ASV machine
         working-directory: pixi_envs/orgs/metatensor/gromacs
-        run: pixi run -e metatomic-cpu bash -c "asv machine --yes"
+        run: pixi run -e metatomic-cpu python -m asv machine --yes
 
       - name: Record commit SHAs
         id: shas
@@ -66,8 +66,7 @@ jobs:
         env:
           GMX_BIN: ${{ github.workspace }}/pixi_envs/orgs/metatensor/gromacs/.pixi/envs/metatomic-cpu/bin/gmx
         run: |
-          pixi run -e metatomic-cpu bash -c \
-            "asv run -E 'existing:\$(which python)' --set-commit-hash ${{ steps.shas.outputs.base }} --record-samples --quick"
+          pixi run -e metatomic-cpu python -m asv run -E existing --set-commit-hash ${{ steps.shas.outputs.base }} --record-samples --quick
 
       # -- Benchmark PR HEAD --------------------------------------------
       - name: Build GROMACS (PR)
@@ -83,16 +82,14 @@ jobs:
         env:
           GMX_BIN: ${{ github.workspace }}/pixi_envs/orgs/metatensor/gromacs/.pixi/envs/metatomic-cpu/bin/gmx
         run: |
-          pixi run -e metatomic-cpu bash -c \
-            "asv run -E 'existing:\$(which python)' --set-commit-hash ${{ steps.shas.outputs.pr }} --record-samples --quick"
+          pixi run -e metatomic-cpu python -m asv run -E existing --set-commit-hash ${{ steps.shas.outputs.pr }} --record-samples --quick
 
       # -- Compare and upload -------------------------------------------
       - name: Generate comparison
         working-directory: pixi_envs/orgs/metatensor/gromacs
         run: |
           mkdir -p results
-          pixi run -e metatomic-cpu bash -c \
-            "asv compare ${{ steps.shas.outputs.base }} ${{ steps.shas.outputs.pr }}" > results/comparison.txt || true
+          pixi run -e metatomic-cpu python -m asv compare ${{ steps.shas.outputs.base }} ${{ steps.shas.outputs.pr }} > results/comparison.txt || true
           cat results/comparison.txt
 
       - name: Write metadata

.github/workflows/gpu_bench.yaml

@@ -49,7 +49,7 @@ jobs:
 
       - name: Initialise ASV machine
         working-directory: pixi_envs/orgs/metatensor/gromacs
-        run: pixi run -e metatomic-cuda bash -c "asv machine --yes"
+        run: pixi run -e metatomic-cuda python -m asv machine --yes
 
       - name: Record commit SHAs
         id: shas
@@ -78,8 +78,7 @@ jobs:
         env:
           GMX_BIN: ${{ github.workspace }}/pixi_envs/orgs/metatensor/gromacs/.pixi/envs/metatomic-cuda/bin/gmx
         run: |
-          pixi run -e metatomic-cuda bash -c \
-            "asv run -E 'existing:\$(which python)' --set-commit-hash ${{ steps.shas.outputs.base }} --record-samples --quick"
+          pixi run -e metatomic-cuda python -m asv run -E existing --set-commit-hash ${{ steps.shas.outputs.base }} --record-samples --quick
 
       # -- Benchmark PR HEAD --------------------------------------------
       - name: Build GROMACS (PR)
@@ -95,16 +94,14 @@ jobs:
         env:
           GMX_BIN: ${{ github.workspace }}/pixi_envs/orgs/metatensor/gromacs/.pixi/envs/metatomic-cuda/bin/gmx
         run: |
-          pixi run -e metatomic-cuda bash -c \
-            "asv run -E 'existing:\$(which python)' --set-commit-hash ${{ steps.shas.outputs.pr }} --record-samples --quick"
+          pixi run -e metatomic-cuda python -m asv run -E existing --set-commit-hash ${{ steps.shas.outputs.pr }} --record-samples --quick
 
       # -- Compare and upload -------------------------------------------
       - name: Generate comparison
         working-directory: pixi_envs/orgs/metatensor/gromacs
         run: |
           mkdir -p results
-          pixi run -e metatomic-cuda bash -c \
-            "asv compare ${{ steps.shas.outputs.base }} ${{ steps.shas.outputs.pr }}" > results/comparison.txt || true
+          pixi run -e metatomic-cuda python -m asv compare ${{ steps.shas.outputs.base }} ${{ steps.shas.outputs.pr }} > results/comparison.txt || true
           cat results/comparison.txt
 
       - name: Write metadata