Test pip no-build-isolation option

Author: jan-janssen

.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-miniconda@v2.2.0
  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]