qcfractalcompute is only needed server-side for snowflake

MolSSI · Sep 10, 2023 · bb2748c · bb2748c
1 parent c45b24e
commit bb2748c
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Showing 5 changed files with 11 additions and 8 deletions.
diff --git a/.github/workflows/core_tests.yml b/.github/workflows/core_tests.yml
@@ -46,7 +46,7 @@ jobs:
       - name: Install All QCArchive packages
         shell: bash -l {0}
         run: |
-          pip install -e ./qcportal -e ./qcfractalcompute -e ./qcfractal[services,geoip] -e ./qcarchivetesting
+          pip install -e ./qcportal -e ./qcfractalcompute -e ./qcfractal[services,geoip,snowflake] -e ./qcarchivetesting
 
       - name: Run tests
         shell: bash -l {0}

diff --git a/conda-build/qcfractal/meta.yaml b/conda-build/qcfractal/meta.yaml
@@ -20,7 +20,6 @@ requirements:
     - versioningit
 
   run:
-    - qcfractalcompute ={{ version }}
     - flask
     - flask-jwt-extended
     - gunicorn
@@ -32,6 +31,7 @@ requirements:
     # Optional in pyproject.toml
     - geoip2
     - torsiondrive
+    - qcfractalcompute ={{ version }}
 
 test:
   imports:

diff --git a/qcarchivetesting/conda-envs/fulltest_server.yaml b/qcarchivetesting/conda-envs/fulltest_server.yaml
@@ -21,9 +21,6 @@ dependencies:
   - pandas
   - pyjwt
 
-  # QCFractalCompute dependencies
-  - parsl
-
   # QCFractal dependencies
   - flask
   - flask-jwt-extended

diff --git a/qcfractal/pyproject.toml b/qcfractal/pyproject.toml
@@ -21,7 +21,6 @@ classifiers = [
     "Operating System :: MacOS",
 ]
 dependencies = [
-    "qcfractalcompute",
     "flask",
     "flask-jwt-extended",
     "gunicorn",
@@ -41,6 +40,9 @@ services = [
 geoip = [
     "geoip2"
 ]
+snowflake = [
+    "qcfractalcompute"
+]
 
 
 [project.urls]

diff --git a/qcfractal/qcfractal/snowflake.py b/qcfractal/qcfractal/snowflake.py
@@ -14,8 +14,6 @@
 
 import requests
 
-from qcfractalcompute.compute_manager import ComputeManager
-from qcfractalcompute.config import FractalComputeConfig, FractalServerSettings, LocalExecutorConfig
 from qcportal import PortalClient
 from qcportal.record_models import RecordStatusEnum
 from .config import FractalConfig, DatabaseConfig, update_nested_dict
@@ -24,6 +22,12 @@
 from .port_util import find_open_port
 from .postgres_harness import create_snowflake_postgres
 
+try:
+    from qcfractalcompute.compute_manager import ComputeManager
+    from qcfractalcompute.config import FractalComputeConfig, FractalServerSettings, LocalExecutorConfig
+except ImportError:
+    raise RuntimeError("qcfractalcompute is not installed. Snowflake is useless without it")
+
 if TYPE_CHECKING:
     from typing import Dict, Any, Sequence, Optional, Set