Merge pull request #84 from pyiron/no-build-isolation

Test pip no-build-isolation option

.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 ase numpy scipy setuptools spglib versioneer wheel
+        python-version: 3.11
+        mamba-version: "*"
+        channels: conda-forge
+        miniforge-variant: Mambaforge
+        channel-priority: strict
+        auto-update-conda: true
+        environment-file: .ci_support/environment.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/minimal.yml

@@ -25,5 +25,6 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       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/notebooks.yml

@@ -16,7 +16,7 @@ jobs:
       - name: Merge Notebook environment
         run: |
           cp .ci_support/environment.yml environment.yml
-        tail --lines=+4 .ci_support/environment-abinit.yml >> environment.yml
+          tail --lines=+4 .ci_support/environment-notebooks.yml >> environment.yml
       - name: Setup Mambaforge
         uses: conda-incubator/setup-miniconda@v2
         with:
@@ -30,5 +30,6 @@ jobs:
       - name: Test
         shell: bash -l {0}
         run: |
-          pip install --no-deps .
-          ./.ci_support/build_notebooks.sh
+          pip install versioneer[toml]==0.29
+          pip install . --no-deps --no-build-isolation
+          ./.ci_support/build_notebooks.sh

.github/workflows/pypicheck.yml

@@ -26,5 +26,6 @@ jobs:
     - name: Pip check
       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.yml

@@ -62,7 +62,8 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         coverage run --omit atomistics/_version.py -m unittest discover tests
         coverage combine
     - name: Coveralls

.github/workflows/unittests_abinit.yml

@@ -29,7 +29,8 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest tests/test_evcurve_abinit.py
       env:
         ABINIT_PP_PATH: '/usr/share/miniconda3/envs/my-env/share/abinit/LDA_FHI'

.github/workflows/unittests_gpaw.yml

@@ -29,7 +29,8 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest tests/test_evcurve_gpaw.py
         python -m unittest tests/test_elastic_gpaw.py
         python -m unittest tests/test_phonons_gpaw.py

.github/workflows/unittests_old.yml

@@ -25,5 +25,6 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       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_qe.yml

@@ -29,7 +29,8 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest tests/test_evcurve_qe.py
       env:
         ASE_ESPRESSO_COMMAND: "mpirun -np 1 pw.x -in PREFIX.pwi > PREFIX.pwo"

.github/workflows/unittests_siesta.yml

@@ -29,5 +29,6 @@ jobs:
       shell: bash -l {0}
       timeout-minutes: 30
       run: |
-        pip install --no-deps .
+        pip install versioneer[toml]==0.29
+        pip install . --no-deps --no-build-isolation
         python -m unittest tests/test_evcurve_siesta.py