diff --git a/.github/workflows/update_regression_baselines.yaml b/.github/workflows/update_regression_baselines.yaml index fe83f16..184b9fa 100644 --- a/.github/workflows/update_regression_baselines.yaml +++ b/.github/workflows/update_regression_baselines.yaml @@ -14,7 +14,7 @@ jobs: update-baselines: name: Update regression baselines runs-on: ubuntu-24.04 - timeout-minutes: 30 + timeout-minutes: 45 steps: - name: Checkout @@ -33,11 +33,27 @@ jobs: python -m pip install --upgrade pip python -m pip install -e .[testing] + - name: Clean regression test data cache + run: | + rm -rf .testdata + rm -rf .pytest_cache + - name: Update regression baselines - run: pytest tests/regression --update-baselines + run: | + python -m pytest tests/regression \ + --update-baselines \ + -n 1 \ + -vv + + - name: Upload updated baselines + if: always() + uses: actions/upload-artifact@v4 + with: + name: updated-regression-baselines + path: tests/regression/baselines/** - name: Commit updated baselines - uses: stefanzweifel/git-auto-commit-action@778341af668090896ca464160c2def5d1d1a3eb0 # v6 + uses: stefanzweifel/git-auto-commit-action@778341af668090896ca464160c2def5d1d1a3eb0 with: commit_message: "test(regression): update baselines" commit_user_name: github-actions[bot] diff --git a/tests/regression/baselines/benzaldehyde/axes_off.json b/tests/regression/baselines/benzaldehyde/axes_off.json index da07dbb..2e53d18 100644 --- a/tests/regression/baselines/benzaldehyde/axes_off.json +++ b/tests/regression/baselines/benzaldehyde/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw0/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli0/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzaldehyde/combined_forcetorque_false.json b/tests/regression/baselines/benzaldehyde/combined_forcetorque_false.json index 507025a..e6cf0b0 100644 --- a/tests/regression/baselines/benzaldehyde/combined_forcetorque_false.json +++ b/tests/regression/baselines/benzaldehyde/combined_forcetorque_false.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw0/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli1/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzaldehyde/frame_window.json b/tests/regression/baselines/benzaldehyde/frame_window.json index d4fa302..526aa4f 100644 --- a/tests/regression/baselines/benzaldehyde/frame_window.json +++ b/tests/regression/baselines/benzaldehyde/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw1/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli2/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzaldehyde/grouping_each.json b/tests/regression/baselines/benzaldehyde/grouping_each.json index 3c4e80b..add55ef 100644 --- a/tests/regression/baselines/benzaldehyde/grouping_each.json +++ b/tests/regression/baselines/benzaldehyde/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw2/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli3/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzaldehyde/selection_subset.json b/tests/regression/baselines/benzaldehyde/selection_subset.json index cc633e7..1dfd907 100644 --- a/tests/regression/baselines/benzaldehyde/selection_subset.json +++ b/tests/regression/baselines/benzaldehyde/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzaldehyde/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzaldehyde/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw3/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli4/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzene/axes_off.json b/tests/regression/baselines/benzene/axes_off.json index f7ba5b7..f463a28 100644 --- a/tests/regression/baselines/benzene/axes_off.json +++ b/tests/regression/baselines/benzene/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzene/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzene/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzene/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw3/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli5/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzene/combined_forcetorque_off.json b/tests/regression/baselines/benzene/combined_forcetorque_off.json index 1184f87..dbe8d5b 100644 --- a/tests/regression/baselines/benzene/combined_forcetorque_off.json +++ b/tests/regression/baselines/benzene/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzene/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzene/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzene/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw4/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli6/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzene/frame_window.json b/tests/regression/baselines/benzene/frame_window.json index b6409fd..10109bc 100644 --- a/tests/regression/baselines/benzene/frame_window.json +++ b/tests/regression/baselines/benzene/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzene/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzene/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzene/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw5/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli7/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzene/grouping_each.json b/tests/regression/baselines/benzene/grouping_each.json index 65ac98c..263e11c 100644 --- a/tests/regression/baselines/benzene/grouping_each.json +++ b/tests/regression/baselines/benzene/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzene/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzene/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzene/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw5/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli8/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/benzene/selection_subset.json b/tests/regression/baselines/benzene/selection_subset.json index c2440b1..83860e0 100644 --- a/tests/regression/baselines/benzene/selection_subset.json +++ b/tests/regression/baselines/benzene/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/benzene/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/benzene/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/benzene/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/benzene/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw6/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli9/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/cyclohexane/axes_off.json b/tests/regression/baselines/cyclohexane/axes_off.json index 68573a9..4e6e710 100644 --- a/tests/regression/baselines/cyclohexane/axes_off.json +++ b/tests/regression/baselines/cyclohexane/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw7/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli10/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/cyclohexane/combined_forcetorque_off.json b/tests/regression/baselines/cyclohexane/combined_forcetorque_off.json index cabf08c..6eae462 100644 --- a/tests/regression/baselines/cyclohexane/combined_forcetorque_off.json +++ b/tests/regression/baselines/cyclohexane/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw7/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli11/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/cyclohexane/frame_window.json b/tests/regression/baselines/cyclohexane/frame_window.json index 1c9bcc2..cd450e7 100644 --- a/tests/regression/baselines/cyclohexane/frame_window.json +++ b/tests/regression/baselines/cyclohexane/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw8/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli12/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/cyclohexane/grouping_each.json b/tests/regression/baselines/cyclohexane/grouping_each.json index d64b5bd..f66f888 100644 --- a/tests/regression/baselines/cyclohexane/grouping_each.json +++ b/tests/regression/baselines/cyclohexane/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw9/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli13/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/cyclohexane/selection_subset.json b/tests/regression/baselines/cyclohexane/selection_subset.json index ef63755..024aa2b 100644 --- a/tests/regression/baselines/cyclohexane/selection_subset.json +++ b/tests/regression/baselines/cyclohexane/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/cyclohexane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw10/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli14/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/dna/axes_off.json b/tests/regression/baselines/dna/axes_off.json index becd066..67f456e 100644 --- a/tests/regression/baselines/dna/axes_off.json +++ b/tests/regression/baselines/dna/axes_off.json @@ -1,8 +1,8 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna.tpr", - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna.tpr", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" ], "force_file": null, "file_format": null, @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw10/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli15/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "RAD" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/dna/combined_forcetorque_off.json b/tests/regression/baselines/dna/combined_forcetorque_off.json index c4efcec..2c71216 100644 --- a/tests/regression/baselines/dna/combined_forcetorque_off.json +++ b/tests/regression/baselines/dna/combined_forcetorque_off.json @@ -1,8 +1,8 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna.tpr", - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna.tpr", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" ], "force_file": null, "file_format": null, @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw12/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli16/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "RAD" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/dna/frame_window.json b/tests/regression/baselines/dna/frame_window.json index dfbcb80..840977e 100644 --- a/tests/regression/baselines/dna/frame_window.json +++ b/tests/regression/baselines/dna/frame_window.json @@ -1,8 +1,8 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna.tpr", - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna.tpr", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" ], "force_file": null, "file_format": null, @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw11/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli17/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "RAD" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/dna/grouping_each.json b/tests/regression/baselines/dna/grouping_each.json index 6e2d655..fc1baf1 100644 --- a/tests/regression/baselines/dna/grouping_each.json +++ b/tests/regression/baselines/dna/grouping_each.json @@ -1,8 +1,8 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna.tpr", - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna.tpr", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" ], "force_file": null, "file_format": null, @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw11/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli18/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "RAD" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/dna/selection_subset.json b/tests/regression/baselines/dna/selection_subset.json index 86ed6ba..442437d 100644 --- a/tests/regression/baselines/dna/selection_subset.json +++ b/tests/regression/baselines/dna/selection_subset.json @@ -1,8 +1,8 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna.tpr", - "/home/ogo12949/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna.tpr", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/dna/md_A4_dna_xf.trr" ], "force_file": null, "file_format": null, @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw13/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli19/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "RAD" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/ethyl-acetate/axes_off.json b/tests/regression/baselines/ethyl-acetate/axes_off.json index 32c9fb8..f319281 100644 --- a/tests/regression/baselines/ethyl-acetate/axes_off.json +++ b/tests/regression/baselines/ethyl-acetate/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw13/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli20/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/ethyl-acetate/combined_forcetorque_off.json b/tests/regression/baselines/ethyl-acetate/combined_forcetorque_off.json index bb3dd52..cd5f1fc 100644 --- a/tests/regression/baselines/ethyl-acetate/combined_forcetorque_off.json +++ b/tests/regression/baselines/ethyl-acetate/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw14/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli21/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/ethyl-acetate/frame_window.json b/tests/regression/baselines/ethyl-acetate/frame_window.json index 6bf5460..3b3efbc 100644 --- a/tests/regression/baselines/ethyl-acetate/frame_window.json +++ b/tests/regression/baselines/ethyl-acetate/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw15/test_regression_matches_baseli0/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli22/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/ethyl-acetate/grouping_each.json b/tests/regression/baselines/ethyl-acetate/grouping_each.json index b5cf4dd..28c525a 100644 --- a/tests/regression/baselines/ethyl-acetate/grouping_each.json +++ b/tests/regression/baselines/ethyl-acetate/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw15/test_regression_matches_baseli1/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli23/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/ethyl-acetate/selection_subset.json b/tests/regression/baselines/ethyl-acetate/selection_subset.json index c5123a9..ab14fef 100644 --- a/tests/regression/baselines/ethyl-acetate/selection_subset.json +++ b/tests/regression/baselines/ethyl-acetate/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/ethyl-acetate/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/ethyl-acetate/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw13/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli24/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methane/axes_off.json b/tests/regression/baselines/methane/axes_off.json index 58750f5..0a8dcd0 100644 --- a/tests/regression/baselines/methane/axes_off.json +++ b/tests/regression/baselines/methane/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 112.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw11/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli25/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methane/combined_forcetorque_off.json b/tests/regression/baselines/methane/combined_forcetorque_off.json index 8660c84..755aeeb 100644 --- a/tests/regression/baselines/methane/combined_forcetorque_off.json +++ b/tests/regression/baselines/methane/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 112.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw12/test_regression_matches_baseli3/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli26/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methane/frame_window.json b/tests/regression/baselines/methane/frame_window.json index 763e8c5..5e05a35 100644 --- a/tests/regression/baselines/methane/frame_window.json +++ b/tests/regression/baselines/methane/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 112.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw4/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli27/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methane/grouping_each.json b/tests/regression/baselines/methane/grouping_each.json index d2f55a0..0dce3e4 100644 --- a/tests/regression/baselines/methane/grouping_each.json +++ b/tests/regression/baselines/methane/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 112.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw15/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli28/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methane/selection_subset.json b/tests/regression/baselines/methane/selection_subset.json index 563a747..f40ae5c 100644 --- a/tests/regression/baselines/methane/selection_subset.json +++ b/tests/regression/baselines/methane/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methane/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methane/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methane/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methane/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 112.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw3/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli29/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methanol/axes_off.json b/tests/regression/baselines/methanol/axes_off.json index 9f5b444..afb27e9 100644 --- a/tests/regression/baselines/methanol/axes_off.json +++ b/tests/regression/baselines/methanol/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methanol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methanol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methanol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw5/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli30/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methanol/combined_forcetorque_off.json b/tests/regression/baselines/methanol/combined_forcetorque_off.json index bba6949..e2e4675 100644 --- a/tests/regression/baselines/methanol/combined_forcetorque_off.json +++ b/tests/regression/baselines/methanol/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methanol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methanol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methanol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw14/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli31/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methanol/frame_window.json b/tests/regression/baselines/methanol/frame_window.json index ea727e5..bd72bf6 100644 --- a/tests/regression/baselines/methanol/frame_window.json +++ b/tests/regression/baselines/methanol/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methanol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methanol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methanol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw7/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli32/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methanol/grouping_each.json b/tests/regression/baselines/methanol/grouping_each.json index c260bdc..3188f78 100644 --- a/tests/regression/baselines/methanol/grouping_each.json +++ b/tests/regression/baselines/methanol/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methanol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methanol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methanol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw9/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli33/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/methanol/selection_subset.json b/tests/regression/baselines/methanol/selection_subset.json index f357b86..ad411b3 100644 --- a/tests/regression/baselines/methanol/selection_subset.json +++ b/tests/regression/baselines/methanol/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/methanol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/methanol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/methanol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/methanol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw10/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli34/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/octonol/axes_off.json b/tests/regression/baselines/octonol/axes_off.json index ab7d8db..9a643a8 100644 --- a/tests/regression/baselines/octonol/axes_off.json +++ b/tests/regression/baselines/octonol/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/octonol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/octonol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/octonol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw11/test_regression_matches_baseli4/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli35/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/octonol/combined_forcetorque_off.json b/tests/regression/baselines/octonol/combined_forcetorque_off.json index e07b813..2b26b1c 100644 --- a/tests/regression/baselines/octonol/combined_forcetorque_off.json +++ b/tests/regression/baselines/octonol/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/octonol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/octonol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/octonol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw10/test_regression_matches_baseli3/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli36/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/octonol/frame_window.json b/tests/regression/baselines/octonol/frame_window.json index 1c4e99d..34770ae 100644 --- a/tests/regression/baselines/octonol/frame_window.json +++ b/tests/regression/baselines/octonol/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/octonol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/octonol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/octonol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw0/test_regression_matches_baseli3/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli37/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/octonol/grouping_each.json b/tests/regression/baselines/octonol/grouping_each.json index d8b159b..3a7c317 100644 --- a/tests/regression/baselines/octonol/grouping_each.json +++ b/tests/regression/baselines/octonol/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/octonol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/octonol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/octonol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw5/test_regression_matches_baseli3/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli38/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/octonol/selection_subset.json b/tests/regression/baselines/octonol/selection_subset.json index c4ae6bd..dc0979a 100644 --- a/tests/regression/baselines/octonol/selection_subset.json +++ b/tests/regression/baselines/octonol/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/octonol/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/octonol/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/octonol/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/octonol/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw10/test_regression_matches_baseli4/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli39/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/water/axes_off.json b/tests/regression/baselines/water/axes_off.json index f10b21b..9d6bcb1 100644 --- a/tests/regression/baselines/water/axes_off.json +++ b/tests/regression/baselines/water/axes_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/water/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/water/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/water/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw3/test_regression_matches_baseli4/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli40/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/water/combined_forcetorque_off.json b/tests/regression/baselines/water/combined_forcetorque_off.json index 15ac1d5..fb1d5a9 100644 --- a/tests/regression/baselines/water/combined_forcetorque_off.json +++ b/tests/regression/baselines/water/combined_forcetorque_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/water/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/water/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/water/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw13/test_regression_matches_baseli4/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli41/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/water/frame_window.json b/tests/regression/baselines/water/frame_window.json index 322c4f0..0ec3db0 100644 --- a/tests/regression/baselines/water/frame_window.json +++ b/tests/regression/baselines/water/frame_window.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/water/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/water/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/water/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw15/test_regression_matches_baseli4/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli42/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/water/grouping_each.json b/tests/regression/baselines/water/grouping_each.json index c7e83e5..4f392f3 100644 --- a/tests/regression/baselines/water/grouping_each.json +++ b/tests/regression/baselines/water/grouping_each.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/water/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/water/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/water/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw7/test_regression_matches_baseli3/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli43/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "each", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/water/selection_subset.json b/tests/regression/baselines/water/selection_subset.json index 662ddc6..ebde793 100644 --- a/tests/regression/baselines/water/selection_subset.json +++ b/tests/regression/baselines/water/selection_subset.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/water/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/water/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/water/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw6/test_regression_matches_baseli2/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli44/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": true, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": { diff --git a/tests/regression/baselines/water/water_off.json b/tests/regression/baselines/water/water_off.json index f9575fd..4147310 100644 --- a/tests/regression/baselines/water/water_off.json +++ b/tests/regression/baselines/water/water_off.json @@ -1,10 +1,10 @@ { "args": { "top_traj_file": [ - "/home/ogo12949/CodeEntropy/.testdata/water/molecules.top", - "/home/ogo12949/CodeEntropy/.testdata/water/trajectory.crd" + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/molecules.top", + "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/trajectory.crd" ], - "force_file": "/home/ogo12949/CodeEntropy/.testdata/water/forces.frc", + "force_file": "/home/runner/work/CodeEntropy/CodeEntropy/.testdata/water/forces.frc", "file_format": "MDCRD", "kcal_force_units": true, "selection_string": "resid 1:10", @@ -14,7 +14,7 @@ "bin_width": 30, "temperature": 298.0, "verbose": false, - "output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw7/test_regression_matches_baseli4/job001/output_file.json", + "output_file": "/tmp/pytest-of-runner/pytest-0/popen-gw0/test_regression_matches_baseli45/job001/output_file.json", "force_partitioning": 0.5, "water_entropy": false, "grouping": "molecules", @@ -23,10 +23,10 @@ "search_type": "grid" }, "provenance": { - "python": "3.13.5", - "platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39", - "codeentropy_version": "2.1.1", - "git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96" + "python": "3.14.4", + "platform": "Linux-6.17.0-1010-azure-x86_64-with-glibc2.39", + "codeentropy_version": "2.2.2", + "git_sha": "3553bbfcbebe9e626f13c1c8c5652450cc440011" }, "groups": { "0": {