146 smart rounding

.github/workflows/docs-build.yaml

@@ -1,28 +1,28 @@
-name: Build the docs
-
-on:
-  pull_request:
-    branches:
-      - main
-      - docs
-
-jobs:
-  build:
-    runs-on: ubuntu-20.04
-    concurrency:
-      group: ${{ github.workflow }}-${{ github.ref }}
-    steps:
-      - uses: actions/checkout@v2
-
-      - name: Setup Python
-        uses: actions/setup-python@v2
-        with:
-          python-version: '3.10'
-
-      - name: Upgrade pip
-        run: python3 -m pip install --upgrade pip
-
-      - name: Install dependencies
-        run: pip install .[optimization,cheminfo,docs]
-      - name: Build docs
-        run: mkdocs build
+name: Build the docs
+
+on:
+  pull_request:
+    branches:
+      - main
+      - docs
+
+jobs:
+  build:
+    runs-on: ubuntu-20.04
+    concurrency:
+      group: ${{ github.workflow }}-${{ github.ref }}
+    steps:
+      - uses: actions/checkout@v2
+
+      - name: Setup Python
+        uses: actions/setup-python@v2
+        with:
+          python-version: '3.10'
+
+      - name: Upgrade pip
+        run: python3 -m pip install --upgrade pip
+
+      - name: Install dependencies
+        run: pip install .[optimization,cheminfo,docs]
+      - name: Build docs
+        run: mkdocs build

.github/workflows/docs.yaml

@@ -1,34 +1,34 @@
-name: Docs
-
-on:
-  push:
-    branches:
-      - main
-      - docs
-
-jobs:
-  deploy:
-    runs-on: ubuntu-20.04
-    concurrency:
-      group: ${{ github.workflow }}-${{ github.ref }}
-    steps:
-      - uses: actions/checkout@v2
-
-      - name: Setup Python
-        uses: actions/setup-python@v2
-        with:
-          python-version: '3.10'
-
-      - name: Upgrade pip
-        run: python3 -m pip install --upgrade pip
-
-      - name: Install dependencies
-        run: |
-          pip install .[optimization,cheminfo,docs]
-      - run: mkdocs build
-
-      - name: Deploy
-        uses: peaceiris/actions-gh-pages@v3
-        with:
-          github_token: ${{ secrets.GITHUB_TOKEN }}
-          publish_dir: ./site
+name: Docs
+
+on:
+  push:
+    branches:
+      - main
+      - docs
+
+jobs:
+  deploy:
+    runs-on: ubuntu-20.04
+    concurrency:
+      group: ${{ github.workflow }}-${{ github.ref }}
+    steps:
+      - uses: actions/checkout@v2
+
+      - name: Setup Python
+        uses: actions/setup-python@v2
+        with:
+          python-version: '3.10'
+
+      - name: Upgrade pip
+        run: python3 -m pip install --upgrade pip
+
+      - name: Install dependencies
+        run: |
+          pip install .[optimization,cheminfo,docs]
+      - run: mkdocs build
+
+      - name: Deploy
+        uses: peaceiris/actions-gh-pages@v3
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: ./site

.github/workflows/lint.yaml

@@ -1,38 +1,38 @@
-name: Lint
-on:
-  push:
-    branches:
-      - main
-  pull_request:
-    branches:
-      - main
-
-jobs:    
-  style:
-    name: Check style with flake8, black, and isort
-    runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@v2
-      - uses: actions/setup-python@v2
-        with:
-          python-version: 3.9
-      - name: style
-        run: |
-          pip3 install flake8==5.0.4 black==22.10.0 isort==5.12.0
-          flake8 --verbose bofire tests
-          black --check bofire tests
-          isort . --check-only --verbose
-
-  pyright:
-    name: Typechecking with pyright
-    runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@v2
-      - uses: actions/setup-python@v2
-        with:
-          python-version: 3.9
-      - name: pyright
-        run: |
-          pip install ".[optimization,cheminfo,tests]"
-          pyright
-
+name: Lint
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+
+jobs:    
+  style:
+    name: Check style with flake8, black, and isort
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+      - name: style
+        run: |
+          pip3 install flake8==5.0.4 black==22.10.0 isort==5.12.0
+          flake8 --verbose bofire tests
+          black --check bofire tests
+          isort . --check-only --verbose
+
+  pyright:
+    name: Typechecking with pyright
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+      - name: pyright
+        run: |
+          pip install ".[optimization,cheminfo,tests]"
+          pyright
+          

.github/workflows/publish.yaml

@@ -1,41 +1,41 @@
-name: Publish to PyPI and TestPyPI
-
-# only trigger on tagged commits starting with "v"
-on:
-  push:
-    tags:
-      - "v*"
-
-jobs:
-  build-n-publish:
-    runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@master
-      - name: Set up Python 3.9
-        uses: actions/setup-python@v1
-        with:
-          python-version: 3.9
-      - name: Install pypa/build
-        run: >-
-          python -m
-          pip install
-          build
-          --user
-      - name: Build a binary wheel and a source tarball
-        run: >-
-          python -m
-          build
-          --sdist
-          --wheel
-          --outdir dist/
-          .
-      - name: Publish to PyPI
-        uses: pypa/gh-action-pypi-publish@master
-        with:
-          password: ${{ secrets.PYPI_API_TOKEN }}
-      - name: Publish to Test PyPI
-        # this step may fail if the version number was already manually published to test.pypi
-        uses: pypa/gh-action-pypi-publish@master
-        with:
-          password: ${{ secrets.TEST_PYPI_API_TOKEN }}
-          repository_url: https://test.pypi.org/legacy/
+name: Publish to PyPI and TestPyPI
+
+# only trigger on tagged commits starting with "v"
+on:
+  push:
+    tags:
+      - "v*"
+
+jobs:
+  build-n-publish:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@master
+      - name: Set up Python 3.9
+        uses: actions/setup-python@v1
+        with:
+          python-version: 3.9
+      - name: Install pypa/build
+        run: >-
+          python -m
+          pip install
+          build
+          --user
+      - name: Build a binary wheel and a source tarball
+        run: >-
+          python -m
+          build
+          --sdist
+          --wheel
+          --outdir dist/
+          .
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@master
+        with:
+          password: ${{ secrets.PYPI_API_TOKEN }}
+      - name: Publish to Test PyPI
+        # this step may fail if the version number was already manually published to test.pypi
+        uses: pypa/gh-action-pypi-publish@master
+        with:
+          password: ${{ secrets.TEST_PYPI_API_TOKEN }}
+          repository_url: https://test.pypi.org/legacy/

.github/workflows/test.yaml

@@ -1,49 +1,49 @@
-name: Tests
-on:
-  push:
-    branches:
-      - main
-  pull_request:
-    branches:
-      - main
-
-jobs:
-  testing_minimal:
-    runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@v2
-      - uses: actions/setup-python@v2
-        with:
-          python-version: 3.9
-      - name: Minimal Bofire
-        run: pip install "." pytest
-      - name: Run domain-only test
-        run: |
-          pytest tests/bofire/data_models/test_domain.py \
-            tests/bofire/data_models/test_base.py \
-            tests/bofire/data_models/test_constraint_fulfillment.py \
-            tests/bofire/data_models/test_constraints.py \
-            tests/bofire/data_models/test_domain_validators.py \
-            tests/bofire/data_models/test_features.py \
-            tests/bofire/data_models/test_filters.py \
-            tests/bofire/data_models/test_nchoosek_combinatorics.py \
-            tests/bofire/data_models/test_numeric.py \
-            tests/bofire/data_models/test_unions.py \
-            tests/bofire/data_models/test_util.py
-
-  testing:
-    runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@v2
-      - uses: actions/setup-python@v2
-        with:
-          python-version: 3.9
-      - name: Install Bofire
-        run: pip install ".[optimization,tests,cheminfo]"
-      - name: Install ipopt
-        run: sudo apt install build-essential pkg-config coinor-libipopt1v5 coinor-libipopt-dev
-      - name: Install cyipopt
-        run: pip install cyipopt
-      - name: Run tests
-        run: pytest -ra --cov=bofire --cov-report term-missing tests
-
+name: Tests
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+
+jobs:
+  testing_minimal:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+      - name: Minimal Bofire
+        run: pip install "." pytest
+      - name: Run domain-only test
+        run: |
+          pytest tests/bofire/data_models/test_domain.py \
+            tests/bofire/data_models/test_base.py \
+            tests/bofire/data_models/test_constraint_fulfillment.py \
+            tests/bofire/data_models/test_constraints.py \
+            tests/bofire/data_models/test_domain_validators.py \
+            tests/bofire/data_models/test_features.py \
+            tests/bofire/data_models/test_filters.py \
+            tests/bofire/data_models/test_nchoosek_combinatorics.py \
+            tests/bofire/data_models/test_numeric.py \
+            tests/bofire/data_models/test_unions.py \
+            tests/bofire/data_models/test_util.py
+
+  testing:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+      - name: Install Bofire
+        run: pip install ".[optimization,tests,cheminfo]"
+      - name: Install ipopt
+        run: sudo apt install build-essential pkg-config coinor-libipopt1v5 coinor-libipopt-dev
+      - name: Install cyipopt
+        run: pip install cyipopt
+      - name: Run tests
+        run: pytest -ra --cov=bofire --cov-report term-missing tests
+