Migrate to tox 4

pyproject.toml

@@ -53,9 +53,10 @@ documentation = "https://euphonic.readthedocs.io/en/stable/"
 
 [project.optional-dependencies]
 matplotlib = ["matplotlib>=3.8.0"]
-phonopy_reader = ["h5py>=3.6.0", "PyYAML>=6.0"]
+phonopy_reader = ["h5py>=3.6.0", "PyYAML>=6.0"]  # Deprecated, will be removed in future versions.
+phonopy-reader = ["h5py>=3.6.0", "PyYAML>=6.0"]
 brille = ["brille>=0.7.0"]
-test = ["mock", "pytest~=7.0", "coverage", "pytest-mock", "pytest-lazy-fixture", "pytest-xvfb"]
+test = ["mock", "pytest~=7.0", "coverage", "pytest-mock", "pytest-lazy-fixture", "pytest-xvfb", "python-slugify"]
 
 [project.scripts]
 euphonic-brille-convergence = "euphonic.cli.brille_convergence:main"

tests_and_analysis/ci_requirements.txt

@@ -1 +1 @@
-tox==3.28.0
+tox>=4

tests_and_analysis/test/euphonic_test/test_force_constants_calculate_qpoint_phonon_modes.py

@@ -301,7 +301,7 @@ def test_with_use_c_false_doesnt_raise_error_or_warn(
             fc.calculate_qpoint_phonon_modes(get_test_qpts(), use_c=False)
         assert len(warn_record) == 0
 
-
+@pytest.mark.c_extension
 class TestForceConstantsCalculateQPointPhononModesWithCExtensionInstalled:
 
     @pytest.fixture

tests_and_analysis/test/pytest.ini

@@ -4,3 +4,4 @@ markers =
     matplotlib: requires euphonic[matplotlib] extra to be installed
     brille: requires euphonic[brille] extra to be installed
     multiple_extras: requires any combination of the above extras e.g. phonopy_reader and matplotlib
+    c_extension: Requires c extension compiled

tox.ini

@@ -1,99 +1,90 @@
 [tox]
+requires = tox>=4
 # The python environments to run the tests in
-envlist = py310,py311,py312,py310-{base,matplotlib,phonopy_reader,brille,all},py310-minrequirements-linux
+envlist = py310,py311,py312,py310-{base,matplotlib,phonopy-reader,brille,all,minrequirements-linux,no-c}
 # Skip the execution of setup.py as we do it with the correct arg in commands_pre below
-skipsdist = True
-whitelist_externals = git
+allowlist_externals = git
 
 [testenv]
+package = wheel
 changedir = tests_and_analysis/test
 test_command = python run_tests.py --report
-passenv = CC CC_LD LDFLAGS CPPFLAGS
-
-[testenv:{py310,py311,py312}]
+passenv = CC_LD
 install_command =
-    python -m pip install \
+    python -m pip install -v \
         --force-reinstall \
         --upgrade \
         --upgrade-strategy eager \
         {opts} \
         {packages}
-deps =
-    numpy
-    -r{toxinidir}/tests_and_analysis/tox_requirements.txt
-commands_pre =
-    python -m pip install \
-    --upgrade \
-    --upgrade-strategy eager \
-    '{toxinidir}[matplotlib,phonopy_reader,brille]'
-commands =
-    {[testenv]test_command} --cov
+extras =
+    test
+
+[testenv:{py310,py311,py312}]
+extras =
+    {[testenv]extras}
+    matplotlib
+    phonopy-reader
+    brille
+commands = {[testenv]test_command} --cov
 
 # Test with no extras
 [testenv:py310-base]
-install_command = {[testenv:py310]install_command}
-deps = {[testenv:py310]deps}
-commands_pre =
-    python -m pip install \
-        --upgrade \
-        --upgrade-strategy eager \
-        '{toxinidir}'
+extras = {[testenv]extras}
 commands = {[testenv]test_command} --cov -m "not (phonopy_reader or matplotlib or brille)"
 
 # Test with matplotlib extra only
 [testenv:py310-matplotlib]
-install_command = {[testenv:py310]install_command}
-deps = {[testenv:py310]deps}
-commands_pre =
-    python -m pip install \
-        --upgrade \
-        --upgrade-strategy eager \
-        '{toxinidir}[matplotlib]'
+extras =
+    {[testenv]extras}
+    matplotlib
 commands = {[testenv]test_command} --cov -m "matplotlib and not multiple_extras"
 
-# Test with phonopy_reader extra only
-[testenv:py310-phonopy_reader]
-install_command = {[testenv:py310]install_command}
-deps = {[testenv:py310]deps}
-commands_pre =
-    python -m pip install \
-        --upgrade \
-        --upgrade-strategy eager \
-        '{toxinidir}[phonopy_reader]'
+# Test with phonopy-reader extra only
+[testenv:py310-phonopy-reader]
+extras =
+    {[testenv]extras}
+    phonopy-reader
 commands = {[testenv]test_command} --cov -m "phonopy_reader and not multiple_extras"
 
 # Test with brille extra only
 [testenv:py310-brille]
-install_command = {[testenv:py310]install_command}
-deps = {[testenv:py310]deps}
-commands_pre =
-    python -m pip install \
-        --upgrade \
-        --upgrade-strategy eager \
-        '{toxinidir}[brille]'
+extras =
+    {[testenv]extras}
+    brille
 commands = {[testenv]test_command} --cov -m "brille and not multiple_extras"
 
 # Run remaining tests that require multiple extras
 [testenv:py310-all]
-install_command = {[testenv:py310]install_command}
-deps = {[testenv:py310]deps}
-commands_pre =
-    python -m pip install \
-        --upgrade \
-        --upgrade-strategy eager \
-        '{toxinidir}[phonopy_reader,matplotlib,brille]'
+extras =
+    {[testenv]extras}
+    matplotlib
+    phonopy-reader
+    brille
 commands =
     {[testenv]test_command} --cov -m multiple_extras
 
+[testenv:py310-no-c]
+install_command = {[testenv]install_command} -Csetup-args="-Dpython_only=true"
+platform =
+    linux: linux
+extras =
+    {[testenv]extras}
+    matplotlib
+    phonopy-reader
+    brille
+commands = {[testenv]test_command} -m 'not c_extension'
+
 [testenv:py310-minrequirements-linux]
-whitelist_externals = rm
+skip_install = True
+allowlist_externals = rm
 install_command =
     python -m pip install --force-reinstall {opts} {packages}
 platform =
     linux: linux
 deps =
     numpy==1.24.0
-    {[testenv:py310]deps}
+    -r{toxinidir}/tests_and_analysis/tox_requirements.txt
 commands_pre =
     python -m pip install --force-reinstall \
         -r{toxinidir}/tests_and_analysis/minimum_euphonic_requirements.txt