From dae72405972bc91822f1531ede348bca8d0f05bb Mon Sep 17 00:00:00 2001
From: "Matthew W. Thompson" <mattwthompson@protonmail.com>
Date: Mon, 5 Feb 2024 11:16:29 -0600
Subject: [PATCH] Allow pytest 8

---
 .github/workflows/CI.yml          |  1 -
 .github/workflows/conda.yml       | 14 +++++---------
 .github/workflows/examples.yml    | 22 ++++++----------------
 devtools/conda-envs/conda.yaml    |  4 +++-
 devtools/conda-envs/conda_oe.yaml |  4 +++-
 5 files changed, 17 insertions(+), 28 deletions(-)

diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
index 108edf8ed..ecd15809d 100644
--- a/.github/workflows/CI.yml
+++ b/.github/workflows/CI.yml
@@ -41,7 +41,6 @@ jobs:
 
     env:
       OE_LICENSE: ${{ github.workspace }}/oe_license.txt
-      PACKAGE: openff
       PYTEST_ARGS: -r fE --tb=short -nauto
       COV: --cov=openff/toolkit --cov-config=setup.cfg --cov-append --cov-report=xml
 
diff --git a/.github/workflows/conda.yml b/.github/workflows/conda.yml
index 4e0d33b1d..23b22072a 100644
--- a/.github/workflows/conda.yml
+++ b/.github/workflows/conda.yml
@@ -25,11 +25,9 @@ jobs:
         openeye: ["true", "false"]
 
     env:
-      CI_OS: ${{ matrix.os }}
       OPENEYE: ${{ matrix.openeye }}
-      PYVER: ${{ matrix.python-version }}
       OE_LICENSE: ${{ github.workspace }}/oe_license.txt
-      PACKAGE: openff-toolkit
+      PYTEST_ARGS: -r fE --tb=short -nauto
 
     steps:
       - uses: actions/checkout@v4
@@ -106,16 +104,14 @@ jobs:
 
       - name: Test the package
         run: |
-          python -m pip install utilities/test_plugins
-
-          pwd
-          ls
+          python -m pip install utilities/test_plugins/
 
           if [[ "$OPENEYE" == true ]]; then
             python -c "import openff.toolkit; print(openff.toolkit.__file__)"
             python -c "import openeye; print(openeye.oechem.OEChemIsLicensed())"
           fi
 
-          PYTEST_ARGS=" -r fE --tb=short --runslow openff/toolkit/_tests/conftest.py"
+          PYTEST_ARGS+=" --runslow"
           PYTEST_ARGS+=" --ignore=openff/toolkit/_tests/test_links.py"
-          pytest $PYTEST_ARGS openff
+
+          python -m pytest $PYTEST_ARGS $COV
diff --git a/.github/workflows/examples.yml b/.github/workflows/examples.yml
index d03bc2ec2..9d2b6223f 100644
--- a/.github/workflows/examples.yml
+++ b/.github/workflows/examples.yml
@@ -66,24 +66,13 @@ jobs:
           create-args: >-
             python=${{ matrix.python-version }}
 
-      - name: Additional info about the build
-        run: |
-          uname -a
-          df -h
-          ulimit -a
-
       - name: Make oe_license.txt file from GH org secret "OE_LICENSE"
         env:
           OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }}
-        run: |
-          echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
+        run: echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
 
       - name: Install package
-        run: |
-          # Maybe remove the packaged openff-toolkit, installed as a dependency of openmmforcefields
-          # and/or Interchange
-          micromamba remove --force openff-toolkit-base
-          python -m pip install .
+        run: python -m pip install .
 
       - name: Remove undesired toolkits
         run: |
@@ -92,7 +81,7 @@ jobs:
           # so don't remove it.
           if [ ! -z "${{ env.PACKAGES_TO_REMOVE }}" ]; then
             for cpkg in ${{ env.PACKAGES_TO_REMOVE }}; do
-              if [[ $(conda list | grep $cpkg) ]]; then micromamba remove --force $cpkg --yes ; fi
+              if [[ $(micromamba list | grep $cpkg) ]]; then micromamba remove --force $cpkg --yes ; fi
             done
           fi
 
@@ -119,10 +108,11 @@ jobs:
               python -c "from openff.toolkit.utils.toolkits import ${TK}_AVAILABLE; assert not ${TK}_AVAILABLE, '${TK} available'"
             done
           fi
+
       - name: Environment Information
         run: |
-          conda info
-          conda list
+          micromamba info
+          micromamba list
 
       - name: Run example scripts
         run: |
diff --git a/devtools/conda-envs/conda.yaml b/devtools/conda-envs/conda.yaml
index ec34886aa..4ac8f1e5c 100644
--- a/devtools/conda-envs/conda.yaml
+++ b/devtools/conda-envs/conda.yaml
@@ -5,5 +5,7 @@ dependencies:
     # Base depends
   - openff-toolkit-examples
     # Tests
-  - pytest=7.4
+  - pytest
+  - pytest-xdist
+  - pytest-randomly
   - pytest-rerunfailures
diff --git a/devtools/conda-envs/conda_oe.yaml b/devtools/conda-envs/conda_oe.yaml
index d379d4cb2..375ada423 100644
--- a/devtools/conda-envs/conda_oe.yaml
+++ b/devtools/conda-envs/conda_oe.yaml
@@ -7,5 +7,7 @@ dependencies:
   - openff-toolkit-examples
     # Tests
   - openeye-toolkits
-  - pytest=7.4
+  - pytest
+  - pytest-xdist
+  - pytest-randomly
   - pytest-rerunfailures