From 21994182fe9cee4358b37b852d6b761f762e0dc4 Mon Sep 17 00:00:00 2001
From: orioncohen <orion@lbl.gov>
Date: Tue, 7 May 2024 11:52:05 -0700
Subject: [PATCH] Eliminate reduntant testing in CI.

---
 .github/workflows/CI.yaml | 117 ++++++++++++++++++++------------------
 1 file changed, 62 insertions(+), 55 deletions(-)

diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
index 1ebed68..b6bea0c 100644
--- a/.github/workflows/CI.yaml
+++ b/.github/workflows/CI.yaml
@@ -37,8 +37,65 @@ jobs:
         with:
           extra_args: --files solvation_analysis/*
 
-  test:
-    name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
+#  test:
+#    name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
+#    runs-on: ${{ matrix.os }}
+#    strategy:
+#      fail-fast: false
+#      matrix:
+#        os: [macOS-latest, ubuntu-latest, windows-latest]
+#        python-version: [3.9, "3.10", 3.11, 3.12]
+#
+#    steps:
+#    - uses: actions/checkout@v3
+#
+#    - name: Additional info about the build
+#      shell: bash
+#      run: |
+#        uname -a
+#        df -h
+#        ulimit -a
+#
+#
+#    # More info on options: https://github.com/conda-incubator/setup-miniconda
+#    - uses: conda-incubator/setup-miniconda@v2
+#      with:
+#        python-version: ${{ matrix.python-version }}
+#        environment-file: devtools/conda-envs/test_env.yaml
+#
+#        channels: conda-forge,defaults
+#
+#        activate-environment: test
+#        auto-update-conda: false
+#        auto-activate-base: false
+#        show-channel-urls: true
+#
+#    - name: Install package
+#
+#      # conda setup requires this special shell
+#      shell: bash -l {0}
+#      run: |
+#        python -m pip install . --no-deps
+#        conda list
+#
+#
+#    - name: Run tests
+#
+#      # conda setup requires this special shell
+#      shell: bash -l {0}
+#
+#      run: |
+#        pytest -v --cov=solvation_analysis --cov-report=xml --color=yes solvation_analysis/tests/
+#
+#    - name: CodeCov
+#      uses: codecov/codecov-action@v1
+#      with:
+#        file: ./coverage.xml
+#        flags: unittests
+#        name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
+
+  test_pip_install:
+    name: pip (PEP517) install on ${{ matrix.os }}, Python ${{ matrix.python-version }}
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
@@ -49,43 +106,17 @@ jobs:
     steps:
     - uses: actions/checkout@v3
 
-    - name: Additional info about the build
-      shell: bash
-      run: |
-        uname -a
-        df -h
-        ulimit -a
-
-
-    # More info on options: https://github.com/conda-incubator/setup-miniconda
-    - uses: conda-incubator/setup-miniconda@v2
+    - uses: actions/setup-python@v4
       with:
         python-version: ${{ matrix.python-version }}
-        environment-file: devtools/conda-envs/test_env.yaml
-
-        channels: conda-forge,defaults
-
-        activate-environment: test
-        auto-update-conda: false
-        auto-activate-base: false
-        show-channel-urls: true
 
     - name: Install package
-
-      # conda setup requires this special shell
-      shell: bash -l {0}
       run: |
-        python -m pip install . --no-deps
-        conda list
-
+        python -m pip install .
 
     - name: Run tests
-
-      # conda setup requires this special shell
-      shell: bash -l {0}
-
       run: |
-        pytest -v --cov=solvation_analysis --cov-report=xml --color=yes solvation_analysis/tests/
+        pytest -v --color=yes solvation_analysis/tests/
 
     - name: CodeCov
       uses: codecov/codecov-action@v1
@@ -93,27 +124,3 @@ jobs:
         file: ./coverage.xml
         flags: unittests
         name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
-
-  test_pip_install:
-    name: pip (PEP517) install on ${{ matrix.os }}, Python ${{ matrix.python-version }}
-    runs-on: ${{ matrix.os }}
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [macOS-latest, ubuntu-latest, windows-latest]
-        python-version: [3.9, "3.10", 3.11, 3.12]
-
-    steps:
-    - uses: actions/checkout@v3
-
-    - uses: actions/setup-python@v4
-      with:
-        python-version: ${{ matrix.python-version }}
-
-    - name: Install package
-      run: |
-        python -m pip install .
-
-    - name: Run tests
-      run: |
-        pytest -v --color=yes solvation_analysis/tests/