fix CI lanes

MolSSI · Sep 17, 2024 · 0642655 · 0642655
1 parent 027b119
commit 0642655
Show file tree

Hide file tree

Showing 3 changed files with 18 additions and 18 deletions.
diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
@@ -21,11 +21,12 @@ jobs:
       fail-fast: false
       matrix:
         cfg:
-          - conda-env: psi
-            python-version: 3.9
-            label: Psi4-1.5
-            runs-on: ubuntu-latest
-            pytest: ""
+          #- conda-env: psi
+          #  python-version: 3.7
+          #  label: Psi4-1.5
+          #  runs-on: ubuntu-latest
+          #  pytest: ""
+          #  Note: removed Sep 2024 b/c too hard to reconcile w/pyd v2
 
           - conda-env: psi-nightly
             python-version: "3.10"
@@ -57,11 +58,12 @@ jobs:
             runs-on: ubuntu-latest
             pytest: ""
 
-          - conda-env: qcore
-            python-version: 3.8
-            label: QCore
-            runs-on: ubuntu-latest
-            pytest: ""
+          #- conda-env: qcore
+          #  python-version: 3.7
+          #  label: QCore
+          #  runs-on: ubuntu-latest
+          #  pytest: ""
+          #  Note: removed Sep 2024 b/c too hard to reconcile w/pyd v2
 
           - conda-env: nwchem
             python-version: 3.8
@@ -159,7 +161,7 @@ jobs:
 
       # QCEngine CI and Psi4 are circularly dependent, so a hack is in order
     - name: Special Config - Faux Pydantic Upgrade
-      if: "((matrix.cfg.label == 'Psi4-1.6') || (matrix.cfg.label == 'Psi4-1.5') || (matrix.cfg.label == 'optimization-dispersion')) && (runner.os != 'Windows')"
+      if: "((matrix.cfg.label == 'Psi4-1.6') || (matrix.cfg.label == 'optimization-dispersion')) && (runner.os != 'Windows')"
       run: |
         sed -i s/from\ pydantic\ /from\ pydantic.v1\ /g ${CONDA_PREFIX}/lib/python${{ matrix.cfg.python-version }}/site-packages/psi4/driver/*py
 
@@ -173,7 +175,7 @@ jobs:
         python -m pip install . --no-deps
 
     - name: QCEngineRecords
-      if: "((matrix.cfg.label != 'Psi4-1.6') && (matrix.cfg.label != 'Psi4-1.5'))"
+      if: "(matrix.cfg.label != 'Psi4-1.6')"
       run: |
         qcengine info
         export QCER_VER=`python -c "import qcengine.testing; print(qcengine.testing.QCENGINE_RECORDS_COMMIT)"`

diff --git a/devtools/conda-envs/psi.yaml b/devtools/conda-envs/psi.yaml
@@ -9,15 +9,14 @@ dependencies:
   - geometric
   - intel-openmp!=2019.5
   - pymdi
-  - numpy=1
 
     # Core
   - python
   - pyyaml
   - py-cpuinfo
   - psutil
-  - qcelemental #=0.24.0
-  - pydantic=2  # test minimum stated version.
+  - qcelemental=0.24.0
+  - pydantic=1.8.2  # test minimun stated version.
   - msgpack-python
 
     # Testing

diff --git a/devtools/conda-envs/qcore.yaml b/devtools/conda-envs/qcore.yaml
@@ -10,10 +10,9 @@ dependencies:
   - pyyaml
   - py-cpuinfo
   - psutil
-  - qcelemental
-  - pydantic=2.1
+  - qcelemental >=0.24
+  - pydantic >=1.8.2
   - tbb<2021
-  - numpy=1
 
     # Testing
   - pytest