[WIP] Python 3.12 support

.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/leeping/geomeTRIC"
+ pip install "geometric @ git+https://github.com/leeping/geomeTRIC"
 
  - name: Run tests
  shell: bash -l {0}

.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 }}

.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 }}

qcarchivetesting/conda-envs/fulltest_server.yaml

@@ -40,4 +40,3 @@ dependencies:
 
  - pip:
  - "geometric @ git+https://github.com/leeping/geomeTRIC"
- - scipy # for geometric

qcarchivetesting/conda-envs/fulltest_snowflake.yaml

@@ -52,4 +52,3 @@ dependencies:
 
  - pip:
  - "geometric @ git+https://github.com/leeping/geomeTRIC"
- - scipy # for geometric

qcarchivetesting/conda-envs/fulltest_worker.yaml

@@ -35,5 +35,4 @@ dependencies:
 
  # Geometric service
  - pip:
- - scipy
  - "geometric @ git+https://github.com/leeping/geomeTRIC"