Add python 3.12 to tests, update geometric

MolSSI · Oct 27, 2023 · d64e462 · d64e462
1 parent e53ffd9
commit d64e462
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Showing 6 changed files with 7 additions and 10 deletions.
diff --git a/.github/workflows/core_tests.yml b/.github/workflows/core_tests.yml
@@ -20,7 +20,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
         encoding: ["application/json", "application/msgpack"]
 
     steps:
@@ -47,7 +47,7 @@ jobs:
         shell: bash -l {0}
         run: |
           pip install -e ./qcportal -e ./qcfractalcompute -e ./qcfractal[services,geoip,snowflake] -e ./qcarchivetesting
-          pip install scipy "geometric @ git+https://github.com/hjnpark/geomeTRIC"
+          pip install "geometric @ git+https://github.com/leeping/geomeTRIC"
 
       - name: Run tests
         shell: bash -l {0}

diff --git a/.github/workflows/full_tests.yml b/.github/workflows/full_tests.yml
@@ -20,7 +20,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
     steps:
       - name: Set up Python ${{ matrix.python-version }}

diff --git a/.github/workflows/full_tests_snowflake.yml b/.github/workflows/full_tests_snowflake.yml
@@ -20,7 +20,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
     steps:
       - name: Set up Python ${{ matrix.python-version }}

diff --git a/qcarchivetesting/conda-envs/fulltest_server.yaml b/qcarchivetesting/conda-envs/fulltest_server.yaml
@@ -36,5 +36,4 @@ dependencies:
   - torsiondrive
 
   - pip:
-      - "geometric @ git+https://github.com/hjnpark/geomeTRIC"
-      - scipy # for geometric
+      - "geometric @ git+https://github.com/leeping/geomeTRIC"
diff --git a/qcarchivetesting/conda-envs/fulltest_snowflake.yaml b/qcarchivetesting/conda-envs/fulltest_snowflake.yaml
@@ -48,5 +48,4 @@ dependencies:
   - pytest
 
   - pip:
-      - "geometric @ git+https://github.com/hjnpark/geomeTRIC"
-      - scipy # for geometric
+      - "geometric @ git+https://github.com/leeping/geomeTRIC"
diff --git a/qcarchivetesting/conda-envs/fulltest_worker.yaml b/qcarchivetesting/conda-envs/fulltest_worker.yaml
@@ -32,5 +32,4 @@ dependencies:
 
   # Geometric service
   - pip:
-    - scipy
-    - "geometric @ git+https://github.com/hjnpark/geomeTRIC"
+    - "geometric @ git+https://github.com/leeping/geomeTRIC"