Merge pull request #162 from pyiron/no-build-isolation

Test pip no-build-isolation option

.github/workflows/coverage.yml

@@ -26,7 +26,8 @@ jobs:
     - name: Test
       shell: bash -l {0}
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         coverage run --omit pylammpsmpi/_version.py -m unittest discover tests
         coverage combine
     - name: Coveralls

.github/workflows/deploy.yml

@@ -19,16 +19,23 @@ jobs:
       id-token: write
     steps:
     - uses: actions/checkout@v4
-    - uses: actions/setup-python@v4
+    - uses: conda-incubator/setup-[email protected]
       with:
-        python-version: "3.11"
-    - name: Install dependencies
-      run: python -m pip install --user --upgrade setuptools wheel versioneer
+        python-version: 3.11
+        mamba-version: "*"
+        channels: conda-forge
+        miniforge-variant: Mambaforge
+        channel-priority: strict
+        auto-update-conda: true
+        environment-file: .ci_support/environment-openmpi.yml
     - name: Convert dependencies
       run: |
         cp .ci_support/environment-old.yml environment.yml
         python .ci_support/release.py; cat pyproject.toml
     - name: Build
-      run: python setup.py sdist bdist_wheel
+      shell: bash -l {0}
+      run: |
+        pip install versioneer[toml]==0.29
+        python setup.py sdist bdist_wheel
     - name: Publish distribution 📦 to PyPI
       uses: pypa/gh-action-pypi-publish@release/v1

.github/workflows/pypicheck.yml

@@ -22,5 +22,6 @@ jobs:
     - name: Setup
       shell: bash -l {0}
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         pip check

.github/workflows/unittests-mpich.yml

@@ -31,5 +31,6 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 5
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest discover tests

.github/workflows/unittests-old.yml

@@ -27,5 +27,6 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 5
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest discover tests

.github/workflows/unittests-openmpi.yml

@@ -31,5 +31,6 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 5
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest discover tests

pylammpsmpi/__init__.py

@@ -1,9 +1,10 @@
 from ._version import get_versions
 
+from pylammpsmpi.wrapper.extended import LammpsLibrary
+from pylammpsmpi.wrapper.concurrent import LammpsConcurrent
+from pylammpsmpi.wrapper.base import LammpsBase
+
 try:
-    from pylammpsmpi.wrapper.extended import LammpsLibrary
-    from pylammpsmpi.wrapper.concurrent import LammpsConcurrent
-    from pylammpsmpi.wrapper.base import LammpsBase
     from pylammpsmpi.wrapper.ase import LammpsASELibrary
 except ImportError:
     pass

pyproject.toml

@@ -1,5 +1,5 @@
 [build-system]
-requires = ["setuptools", "versioneer[toml]==0.29"]
+requires = ["mpi4py", "numpy", "pympipool", "setuptools", "versioneer[toml]==0.29"]
 build-backend = "setuptools.build_meta"
 
 [project]