From 6bae2670424b79fecf18075b8e3039cb8e3173fe Mon Sep 17 00:00:00 2001 From: harryswift01 Date: Thu, 7 May 2026 16:19:35 +0100 Subject: [PATCH 1/4] ci: change python version in `update_regression_baselines.yaml` to use python 3.13 --- .github/workflows/update_regression_baselines.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/update_regression_baselines.yaml b/.github/workflows/update_regression_baselines.yaml index fe83f16..e7f7777 100644 --- a/.github/workflows/update_regression_baselines.yaml +++ b/.github/workflows/update_regression_baselines.yaml @@ -25,7 +25,7 @@ jobs: - name: Set up Python uses: actions/setup-python@a309ff8b426b58ec0e2a45f0f869d46889d02405 # v6.2.0 with: - python-version: "3.14" + python-version: "3.13" cache: pip - name: Install testing dependencies From 86067e76e89b3ed527f8d968a12b1f7eca7f766f Mon Sep 17 00:00:00 2001 From: harryswift01 Date: Thu, 7 May 2026 16:29:56 +0100 Subject: [PATCH 2/4] ci: change python version in `update_regression_baselines.yaml` to use python 3.14 --- .github/workflows/update_regression_baselines.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/update_regression_baselines.yaml b/.github/workflows/update_regression_baselines.yaml index e7f7777..fe83f16 100644 --- a/.github/workflows/update_regression_baselines.yaml +++ b/.github/workflows/update_regression_baselines.yaml @@ -25,7 +25,7 @@ jobs: - name: Set up Python uses: actions/setup-python@a309ff8b426b58ec0e2a45f0f869d46889d02405 # v6.2.0 with: - python-version: "3.13" + python-version: "3.14" cache: pip - name: Install testing dependencies From 3553bbfcbebe9e626f13c1c8c5652450cc440011 Mon Sep 17 00:00:00 2001 From: harryswift01 Date: Thu, 7 May 2026 16:49:06 +0100 Subject: [PATCH 3/4] ci: clear cached regression test data before baseline updates --- .../update_regression_baselines.yaml | 22 ++++++++++++++++--- 1 file changed, 19 insertions(+), 3 deletions(-) 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] From aac6bbfa5ddcd93de12419de8c2d5f4e99d8f30c Mon Sep 17 00:00:00 2001 From: harryswift01 <188863211+harryswift01@users.noreply.github.com> Date: Thu, 7 May 2026 16:09:13 +0000 Subject: [PATCH 4/4] test(regression): update baselines --- .../baselines/benzaldehyde/axes_off.json | 18 +++++++++--------- .../combined_forcetorque_false.json | 18 +++++++++--------- .../baselines/benzaldehyde/frame_window.json | 18 +++++++++--------- .../baselines/benzaldehyde/grouping_each.json | 18 +++++++++--------- .../benzaldehyde/selection_subset.json | 18 +++++++++--------- .../regression/baselines/benzene/axes_off.json | 18 +++++++++--------- .../benzene/combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/benzene/frame_window.json | 18 +++++++++--------- .../baselines/benzene/grouping_each.json | 18 +++++++++--------- .../baselines/benzene/selection_subset.json | 18 +++++++++--------- .../baselines/cyclohexane/axes_off.json | 18 +++++++++--------- .../cyclohexane/combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/cyclohexane/frame_window.json | 18 +++++++++--------- .../baselines/cyclohexane/grouping_each.json | 18 +++++++++--------- .../cyclohexane/selection_subset.json | 18 +++++++++--------- tests/regression/baselines/dna/axes_off.json | 16 ++++++++-------- .../dna/combined_forcetorque_off.json | 16 ++++++++-------- .../regression/baselines/dna/frame_window.json | 16 ++++++++-------- .../baselines/dna/grouping_each.json | 16 ++++++++-------- .../baselines/dna/selection_subset.json | 16 ++++++++-------- .../baselines/ethyl-acetate/axes_off.json | 18 +++++++++--------- .../combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/ethyl-acetate/frame_window.json | 18 +++++++++--------- .../baselines/ethyl-acetate/grouping_each.json | 18 +++++++++--------- .../ethyl-acetate/selection_subset.json | 18 +++++++++--------- .../regression/baselines/methane/axes_off.json | 18 +++++++++--------- .../methane/combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/methane/frame_window.json | 18 +++++++++--------- .../baselines/methane/grouping_each.json | 18 +++++++++--------- .../baselines/methane/selection_subset.json | 18 +++++++++--------- .../baselines/methanol/axes_off.json | 18 +++++++++--------- .../methanol/combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/methanol/frame_window.json | 18 +++++++++--------- .../baselines/methanol/grouping_each.json | 18 +++++++++--------- .../baselines/methanol/selection_subset.json | 18 +++++++++--------- .../regression/baselines/octonol/axes_off.json | 18 +++++++++--------- .../octonol/combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/octonol/frame_window.json | 18 +++++++++--------- .../baselines/octonol/grouping_each.json | 18 +++++++++--------- .../baselines/octonol/selection_subset.json | 18 +++++++++--------- tests/regression/baselines/water/axes_off.json | 18 +++++++++--------- .../water/combined_forcetorque_off.json | 18 +++++++++--------- .../baselines/water/frame_window.json | 18 +++++++++--------- .../baselines/water/grouping_each.json | 18 +++++++++--------- .../baselines/water/selection_subset.json | 18 +++++++++--------- .../regression/baselines/water/water_off.json | 18 +++++++++--------- 46 files changed, 409 insertions(+), 409 deletions(-) diff --git a/tests/regression/baselines/benzaldehyde/axes_off.json b/tests/regression/baselines/benzaldehyde/axes_off.json index da07dbb..d32514b 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": { @@ -42,4 +42,4 @@ "total": 203.1091118167158 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzaldehyde/combined_forcetorque_false.json b/tests/regression/baselines/benzaldehyde/combined_forcetorque_false.json index 507025a..41b41d7 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": { @@ -42,4 +42,4 @@ "total": 208.1878625488175 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzaldehyde/frame_window.json b/tests/regression/baselines/benzaldehyde/frame_window.json index d4fa302..a1537a2 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": { @@ -42,4 +42,4 @@ "total": 230.29580627384846 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzaldehyde/grouping_each.json b/tests/regression/baselines/benzaldehyde/grouping_each.json index 3c4e80b..28a0ed9 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": { @@ -150,4 +150,4 @@ "total": 160.08074429454342 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzaldehyde/selection_subset.json b/tests/regression/baselines/benzaldehyde/selection_subset.json index cc633e7..973a806 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": { @@ -42,4 +42,4 @@ "total": 219.34599995216834 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzene/axes_off.json b/tests/regression/baselines/benzene/axes_off.json index f7ba5b7..660fd2a 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": { @@ -42,4 +42,4 @@ "total": 161.29702964139057 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzene/combined_forcetorque_off.json b/tests/regression/baselines/benzene/combined_forcetorque_off.json index 1184f87..2d4c5f0 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": { @@ -42,4 +42,4 @@ "total": 151.31064169774515 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzene/frame_window.json b/tests/regression/baselines/benzene/frame_window.json index b6409fd..7f833bb 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": { @@ -42,4 +42,4 @@ "total": 173.89519974256632 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzene/grouping_each.json b/tests/regression/baselines/benzene/grouping_each.json index 65ac98c..5bca408 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": { @@ -150,4 +150,4 @@ "total": 5.899027381382337 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/benzene/selection_subset.json b/tests/regression/baselines/benzene/selection_subset.json index c2440b1..52b245f 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": { @@ -42,4 +42,4 @@ "total": 159.27917642122793 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/cyclohexane/axes_off.json b/tests/regression/baselines/cyclohexane/axes_off.json index 68573a9..a40075e 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": { @@ -42,4 +42,4 @@ "total": 169.02115517275246 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/cyclohexane/combined_forcetorque_off.json b/tests/regression/baselines/cyclohexane/combined_forcetorque_off.json index cabf08c..02fb1b4 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": { @@ -42,4 +42,4 @@ "total": 163.50155250432303 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/cyclohexane/frame_window.json b/tests/regression/baselines/cyclohexane/frame_window.json index 1c9bcc2..add062b 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": { @@ -42,4 +42,4 @@ "total": 231.09780323388605 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/cyclohexane/grouping_each.json b/tests/regression/baselines/cyclohexane/grouping_each.json index d64b5bd..0a3db4d 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": { @@ -150,4 +150,4 @@ "total": 15.263690846701794 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/cyclohexane/selection_subset.json b/tests/regression/baselines/cyclohexane/selection_subset.json index ef63755..6aa5598 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": { @@ -42,4 +42,4 @@ "total": 168.72470380748013 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/dna/axes_off.json b/tests/regression/baselines/dna/axes_off.json index becd066..6c7b3ab 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": { @@ -58,4 +58,4 @@ "total": 97.61010312099201 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/dna/combined_forcetorque_off.json b/tests/regression/baselines/dna/combined_forcetorque_off.json index c4efcec..7fbbc09 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": { @@ -58,4 +58,4 @@ "total": 36.07572103394637 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/dna/frame_window.json b/tests/regression/baselines/dna/frame_window.json index dfbcb80..c9df531 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": { @@ -58,4 +58,4 @@ "total": 97.85965049646045 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/dna/grouping_each.json b/tests/regression/baselines/dna/grouping_each.json index 6e2d655..09faf11 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": { @@ -58,4 +58,4 @@ "total": 18.274062256427623 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/dna/selection_subset.json b/tests/regression/baselines/dna/selection_subset.json index 86ed6ba..6945d86 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": { @@ -58,4 +58,4 @@ "total": 18.274062256427623 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/ethyl-acetate/axes_off.json b/tests/regression/baselines/ethyl-acetate/axes_off.json index 32c9fb8..1d1e55b 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": { @@ -42,4 +42,4 @@ "total": 210.9386071250987 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/ethyl-acetate/combined_forcetorque_off.json b/tests/regression/baselines/ethyl-acetate/combined_forcetorque_off.json index bb3dd52..73bf897 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": { @@ -42,4 +42,4 @@ "total": 215.05334534012698 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/ethyl-acetate/frame_window.json b/tests/regression/baselines/ethyl-acetate/frame_window.json index 6bf5460..7c44dd4 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": { @@ -42,4 +42,4 @@ "total": 211.90727050294976 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/ethyl-acetate/grouping_each.json b/tests/regression/baselines/ethyl-acetate/grouping_each.json index b5cf4dd..a9c559a 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": { @@ -150,4 +150,4 @@ "total": 12.301609813608454 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/ethyl-acetate/selection_subset.json b/tests/regression/baselines/ethyl-acetate/selection_subset.json index c5123a9..b7d1bf1 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": { @@ -42,4 +42,4 @@ "total": 221.48547001014148 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methane/axes_off.json b/tests/regression/baselines/methane/axes_off.json index 58750f5..f9f56f8 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": { @@ -39,4 +39,4 @@ "total": 77.20875141839502 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methane/combined_forcetorque_off.json b/tests/regression/baselines/methane/combined_forcetorque_off.json index 8660c84..62ae010 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": { @@ -39,4 +39,4 @@ "total": 77.168127574067 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methane/frame_window.json b/tests/regression/baselines/methane/frame_window.json index 763e8c5..03f979a 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": { @@ -39,4 +39,4 @@ "total": 74.48255240941317 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methane/grouping_each.json b/tests/regression/baselines/methane/grouping_each.json index d2f55a0..6a98f3a 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": { @@ -120,4 +120,4 @@ "total": 12.313257144638957 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methane/selection_subset.json b/tests/regression/baselines/methane/selection_subset.json index 563a747..1790ee2 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": { @@ -39,4 +39,4 @@ "total": 77.168127574067 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methanol/axes_off.json b/tests/regression/baselines/methanol/axes_off.json index 9f5b444..abb1486 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": { @@ -42,4 +42,4 @@ "total": 152.45023271322518 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methanol/combined_forcetorque_off.json b/tests/regression/baselines/methanol/combined_forcetorque_off.json index bba6949..83ad4b0 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": { @@ -42,4 +42,4 @@ "total": 143.94659955847422 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methanol/frame_window.json b/tests/regression/baselines/methanol/frame_window.json index ea727e5..ca7d7c8 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": { @@ -42,4 +42,4 @@ "total": 125.64852880150801 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methanol/grouping_each.json b/tests/regression/baselines/methanol/grouping_each.json index c260bdc..57c78d0 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": { @@ -150,4 +150,4 @@ "total": 0.3413145645477002 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/methanol/selection_subset.json b/tests/regression/baselines/methanol/selection_subset.json index f357b86..a1e7b3d 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": { @@ -42,4 +42,4 @@ "total": 151.94722026765817 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/octonol/axes_off.json b/tests/regression/baselines/octonol/axes_off.json index ab7d8db..7dec432 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": { @@ -42,4 +42,4 @@ "total": 201.75720638000655 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/octonol/combined_forcetorque_off.json b/tests/regression/baselines/octonol/combined_forcetorque_off.json index e07b813..509dce6 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": { @@ -42,4 +42,4 @@ "total": 197.70076468713353 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/octonol/frame_window.json b/tests/regression/baselines/octonol/frame_window.json index 1c4e99d..4ae94d1 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": { @@ -42,4 +42,4 @@ "total": 406.37330124036134 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/octonol/grouping_each.json b/tests/regression/baselines/octonol/grouping_each.json index d8b159b..c9a756a 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": { @@ -150,4 +150,4 @@ "total": 66.84132740258858 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/octonol/selection_subset.json b/tests/regression/baselines/octonol/selection_subset.json index c4ae6bd..1b1a087 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": { @@ -42,4 +42,4 @@ "total": 202.78843646155286 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/water/axes_off.json b/tests/regression/baselines/water/axes_off.json index f10b21b..2013dfa 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": { @@ -39,4 +39,4 @@ "total": 68.5292978562903 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/water/combined_forcetorque_off.json b/tests/regression/baselines/water/combined_forcetorque_off.json index 15ac1d5..e6b664c 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": { @@ -39,4 +39,4 @@ "total": 68.45409194806703 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/water/frame_window.json b/tests/regression/baselines/water/frame_window.json index 322c4f0..dbc25f0 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": { @@ -39,4 +39,4 @@ "total": 64.37811411967567 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/water/grouping_each.json b/tests/regression/baselines/water/grouping_each.json index c7e83e5..6aed197 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": { @@ -120,4 +120,4 @@ "total": 19.381996177370297 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/water/selection_subset.json b/tests/regression/baselines/water/selection_subset.json index 662ddc6..61af474 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": { @@ -39,4 +39,4 @@ "total": 68.45409194806703 } } -} +} \ No newline at end of file diff --git a/tests/regression/baselines/water/water_off.json b/tests/regression/baselines/water/water_off.json index f9575fd..df2147d 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": { @@ -39,4 +39,4 @@ "total": 68.45409194806703 } } -} +} \ No newline at end of file