Build/changes for distribution build

MANIFEST.in

@@ -7,5 +7,11 @@ include README.rst
 recursive-include tests *
 recursive-exclude * __pycache__
 recursive-exclude * *.py[co]
+recursive-exclude container_recipes *
+recursive-exclude examples *
+recursive-exclude notebooks *
+recursive-exclude scripts *
+recursive-exclude subselection *
 
 recursive-include docs *.rst conf.py Makefile make.bat *.jpg *.png *.gif
+recursive-include carps/configs *

Makefile

@@ -1,15 +1,66 @@
-.PHONY: test docs check install-dev
+# These have been configured to only really run short tasks. Longer form tasks
+# are usually completed in github actions.
+
+SHELL := /bin/bash
+
+NAME := CARP-S
+PACKAGE_NAME := carps
+VERSION := 0.1.0
+
+DIST := dist
+
+.PHONY: help install-dev clean-build check build docs publish test
+
+help:
+	@echo "Makefile ${NAME}"
+	@echo "* install-dev      to install all dev requirements and install pre-commit"
+	@echo "* clean-build      to clean any build files"
+	@echo "* check            to run the pre-commit check"
+	@echo "* build            to build a dist"
+	@echo "* docs             to generate and view the html files, checks links"
+	@echo "* publish          to help publish the current branch to pypi"
+	@echo "* test             to run the tests"
+
+PYTHON ?= python
 
 test:
-	python -m pytest tests
+	$(PYTHON) -m pytest tests
 
 docs:
-	python -m webbrowser -t "http://127.0.0.1:8000/"
-	python -m mkdocs serve --clean
+	$(PYTHON) -m webbrowser -t "http://127.0.0.1:8000/"
+	$(PYTHON) -m mkdocs serve --clean
 
 check:
 	pre-commit run --all-files
 
 install-dev:
 	pip install -e ".[dev]"
 	pre-commit install
+
+clean-build:
+	rm -rf ${DIST}
+
+# Build a distribution in ./dist
+build:
+    $(PYTHON) -m pip install build
+    $(PYTHON) -m build --sdist
+
+# Publish to testpypi
+# Will echo the commands to actually publish to be run to publish to actual PyPi
+# This is done to prevent accidental publishing but provide the same conveniences
+publish: clean-build build
+	read -p "Did you update the version number in Makefile, pyproject.toml, and CITATION.cff?"
+
+	$(PIP) install twine
+	$(PYTHON) -m twine upload --repository testpypi ${DIST}/*
+	@echo
+	@echo "Test with the following:"
+	@echo "* Create a new virtual environment to install the uplaoded distribution into"
+	@echo "* Run the following:"
+	@echo "--- pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple/ ${PACKAGE_NAME}==${VERSION}"
+	@echo
+	@echo "* Run this to make sure it can import correctly, plus whatever else you'd like to test:"
+	@echo "--- python -c 'import ${PACKAGE_NAME}'"
+	@echo
+	@echo "Once you have decided it works, publish to actual pypi with"
+	@echo "--- python -m twine upload dist/*"

README.md

@@ -14,7 +14,36 @@ For more details on CARP-S, please have a look at the
 [documentation](https://AutoML.github.io/CARP-S/latest/).
 
 ## Installation
-To install CARP-S, you can use the following commands:
+To install CARP-S, you can simply use `pip`:
+
+```bash
+conda create -n carps python=3.11
+conda activate carps
+pip install carps
+```
+
+Additionally, you need to install the requirements for the benchmark and optimizer that you want to use.
+For example, if you want to use the `SMAC2.0` optimizer and the `BBOB` benchmark, you need to install the
+requirements for both of them via:
+
+```bash
+pip install carps[smac,bbob]
+```
+
+All possible install options for benchmarks are:
+```bash
+dummy,bhob,hpob,hpobench,mfpbench,pymoo,yahpoo
+```
+
+All possible install options for optimizers are:
+```bash
+dummy,dehb,hebo,nevergrad,optuna,skopt,smac,smac14,synetune
+```
+
+Please note that installing all requirements for all benchmarks and optimizers in a single 
+environment will not be possible due to conflicting dependencies.
+
+If you want to install from source, you can clone the repository and install CARP-S via:
 
 ```bash
 git clone https://github.com/AutoML/CARP-S.git
@@ -26,19 +55,14 @@ conda activate carps
 pip install .
 ```
 
-If you want to install CARP-S for development, you can use the following command:
+For installing the requirements for the optimizer and benchmark, you can then use the following command:
 ```bash
-# Install for development
-make install-dev
+pip install ".[smac,bbob]"
 ```
 
-Additionally, you need to install the requirements for the benchmark and optimizer that you want to use.
-For example, if you want to use the `SMAC2.0` optimizer and the `BBOB` benchmark, you need to install the
-requirements for both of them.
-
+If you want to install CARP-S for development, you can use the following command:
 ```bash
-pip install -r container_recipes/optimizers/SMAC3/SMAC3_requirements.txt
-pip install -r container_recipes/benchmarks/BBOB/BBOB_requirements.txt
+make install-dev
 ```
 
 ## Minimal Example

carps/__init__.py

@@ -1,6 +1,6 @@
 import datetime
 
-name = "SMACBenchmarking"
+name = "CARP-S"
 package_name = "carps"
 author = "AutoML"
 author_email = "[email protected]"

pyproject.toml

@@ -2,8 +2,7 @@
 requires = ["setuptools >= 70.0"]
 build-backend = "setuptools.build_meta"
 
-[tool.setuptools]
-packages = ["carps"]
+[tool.setuptools.packages.find]
 
 [project]
 name = "carps"
@@ -78,8 +77,56 @@ dev = [
   "pytest-coverage",
   "pytest-cases",
 ]
-
-
+dummy = ["scikit-learn"]
+bbob = ["ioh==0.3.14"]
+hpob = ["xgboost==1.5.2"]
+hpobench = [
+  "hpobench@git+https://github.com/automl/HPOBench.git",
+  "tqdm",
+  "pandas==1.2.4",
+  "Cython==0.29.36",
+  "scikit-learn==0.24.2", #--no-build-isolation
+  "openml==0.12.2",
+  "xgboost==1.3.1",
+  "ConfigSpace==0.6.1",
+]
+mfpbench = [
+  "scikit-learn",
+  "mf-prior-bench",
+  # PD1
+  "xgboost>=1.7",
+]
+pymoo = ["pymoo"]
+yahpoo = [
+  "yahpo-gym==1.0.1",
+  "onnxruntime==1.15.0",
+  "ConfigSpace~=0.6.0",
+]
+dehb = ["dehb"]
+hebo = ["hebo==0.3.5"]
+nevergrad = [
+  "nevergrad",
+  "hyperopt",
+  "bayesian-optimization",
+  "ioh==0.3.14",
+  # make sure that joblib is quite new >= 1.4.2
+]
+optuna = ["optuna"]
+skopt = ["scikit-optimize"]
+smac = [
+  "swig",
+  "smac>=2.1.0"
+]
+smac14 = [
+  "smac==1.4",
+  "scikit-learn==1.1.3"
+]
+synetune = [
+  "syne-tune[basic]==0.13.0",
+  # for bore
+  "xgboost==2.0.3",
+  "scikit-learn==1.4.0",
+]
 
 # https://docs.pytest.org/en/7.2.x/reference/reference.html#ini-options-ref
 [tool.pytest.ini_options]