Publish on real PyPi and setuptool_scm removal.

.github/workflows/publish_pypi.yml

@@ -0,0 +1,85 @@
+name: PyPi publish
+on:
+  push:
+    branches:
+      - main
+
+env:
+  CACHE_NUMBER: 3  # Increase this value to reset cache if dependencies didn't change.
+  CONDA_ENV_DIR: /usr/share/miniconda3/envs/nn-core
+
+jobs:
+  build-n-publish:
+    name: Build and publish to PyPI and TestPyPI
+    runs-on: ubuntu-20.04
+
+    defaults:
+      run:
+        shell: bash -l {0}
+
+    env:
+      CI: 'true'
+      OS: 'linux'
+      PYTHON_VERSION: ${{ matrix.PYTHON_VERSION }}
+
+    strategy:
+      matrix:
+        PYTHON_VERSION: [ 3.9 ]
+
+    steps:
+      - uses: actions/checkout@v2
+
+      - name: Conda init
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          miniforge-variant: Mambaforge
+          miniforge-version: latest
+          activate-environment: nn-core
+          use-mamba: true
+          auto-activate-base: false
+          #          environment-file: env.yaml
+          use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly!
+
+      - name: Cache conda
+        uses: actions/cache@v2
+        with:
+          path: env.CONDA_ENV_DIR
+          key:
+            ${{ env.CONDA_ENV_DIR }}-${{ runner.os }}-conda-${{ matrix.PYTHON_VERSION }}-${{ env.CACHE_NUMBER }}-${{hashFiles('./env.yaml') }}-${{hashFiles('./setup.cfg') }}
+        id: conda_cache
+
+      - name: Cache pip
+        uses: actions/cache@v2
+        with:
+          path: ~/.cache/pip
+          key: ${{ runner.os }}-pip-${{ matrix.PYTHON_VERSION }}-${{ env.CACHE_NUMBER }}-${{hashFiles('./env.yaml') }}-${{hashFiles('./setup.cfg') }}
+
+      - name: Conda env update (no cache)
+        run: mamba env update -n nn-core -f env.yaml
+        if: steps.conda_cache.outputs.cache-hit != 'true'
+
+      - run: pip3 list
+      - run: mamba info
+      - run: mamba list
+      - run: mamba config --show
+
+      - name: Build SDist and wheel
+        run: pipx run build
+
+      - name: Check metadata
+        run: pipx run twine check dist/*
+
+# TODO: activate only for develop branch
+#      - name: Publish distribution 📦 to Test PyPI
+#        uses: pypa/gh-action-pypi-publish@release/v1
+#        with:
+#          user: __token__
+#          password: ${{ secrets.TEST_PYPI_API_TOKEN }}
+#          repository_url: https://test.pypi.org/legacy/
+
+      - name: Publish distribution 📦 to PyPI
+        if: startsWith(github.ref, 'refs/tags')
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          user: __token__
+          password: ${{ secrets.PYPI_API_TOKEN }}