Move parser dependencies to optional

nomad-coe · Nov 28, 2023 · da1df33 · da1df33
1 parent e3d736c
commit da1df33
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Showing 3 changed files with 8 additions and 6 deletions.
diff --git a/.github/workflows/actions.yaml b/.github/workflows/actions.yaml
@@ -12,7 +12,7 @@ jobs:
     - name: Install dependencies
       run: |
         pip install --upgrade pip
-        pip install .[dev]
+        pip install .[dev,tests]
     - name: mypy
       run: |
         python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional simulationworkflowschema tests

diff --git a/pyproject.toml b/pyproject.toml
@@ -10,10 +10,7 @@ readme = "README.md"
 authors = [{ name = "The NOMAD Authors" }]
 license = { text = "Apache-2.0" }
 dependencies = [
-    "nomad-lab[infrastructure]@git+https://github.com/nomad-coe/nomad.git@develop",
-    "electronicparsers@git+https://github.com/nomad-coe/electronic-parsers.git@develop",
-    "atomisticparsers@git+https://github.com/nomad-coe/atomistic-parsers.git@develop",
-    "workflowparsers@git+https://github.com/nomad-coe/workflow-parsers.git@master"
+    "nomad-lab[infrastructure]@git+https://github.com/nomad-coe/nomad.git@develop"
 ]
 
 [project.urls]
@@ -28,6 +25,11 @@ dev = [
     'ruff==0.1.4'
 ]
 
+tests = [
+    "electronicparsers@git+https://github.com/nomad-coe/electronic-parsers.git@develop",
+    "atomisticparsers@git+https://github.com/nomad-coe/atomistic-parsers.git@develop",
+    "workflowparsers@git+https://github.com/nomad-coe/workflow-parsers.git@master"
+]
 
 [tool.ruff]
 include = ["simulationworkflowschema/*.py", "tests/*.py"]

diff --git a/tests/test_simulationworkflowschema.py b/tests/test_simulationworkflowschema.py
@@ -48,6 +48,7 @@ def run_parsing(parser_class, filepath):
     return archive
 
 
+# TODO rid of the use of parser
 def test_no_workflow():
     vasp_archive = run_parsing(VASPParser, 'tests/data/vasp_outcar/OUTCAR_broken')
     assert not vasp_archive.workflow2.results.calculations_ref
@@ -211,7 +212,6 @@ def test_geometry_optimization_workflow():
     vasp_archive = run_parsing(
         VASPParser, 'tests/data/vasp/vasprun.xml')
     sec_workflow = vasp_archive.workflow2
-    print(sec_workflow)
     assert sec_workflow.method.type == 'cell_shape'
     assert sec_workflow.results.calculation_result_ref.m_def.name == 'Calculation'
     assert sec_workflow.results.final_energy_difference.to('eV').magnitude == approx(0.00012532)