Repository: frank1010111/pywaterflood (language: python)

Issue:
Python 3.11 compatibility
Add python 3.11 compatibility to `pyproject.toml` and test it with github actions. Simplify any dangling dependencies.


Discussion / hints:

Fix patch:
diff --git a/.dockerignore b/.dockerignore
new file mode 100644
index 0000000..21667fe
--- /dev/null
+++ b/.dockerignore
@@ -0,0 +1,116 @@
+.git
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+wheelhouse/
+pip-wheel-metadata/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+
+# Translations
+*.mo
+*.pot
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+.python-version
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+**__pycache__
+
+# PyCharm
+.idea/
diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml
index 014d960..1b3d833 100644
--- a/.github/workflows/publish-to-pypi.yml
+++ b/.github/workflows/publish-to-pypi.yml
@@ -3,33 +3,38 @@ name: Build and upload to PyPI
 # Build on every branch push, tag push, and pull request change:
 on:
   push:
+    branches:
+      - master
   pull_request:
+    branches:
+      - master
   release:
     types:
       - published
 
 jobs:
-  # build_wheels:
-  #   name: Build wheels on ${{ matrix.os }}
-  #   runs-on: ${{ matrix.os }}
-  #   strategy:
-  #     matrix:
-  #       os: [ubuntu-20.04, windows-2019, macos-10.15]
+  build_wheels:
+    name: Build wheels on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-22.04, windows-2022, macos-12]
+    env:
+      # rust is not available for musl linux on i686. see https://github.com/rust-lang/rustup/issues/2984
+      CIBW_SKIP: "*-musllinux_i686"
+      CIBW_BEFORE_ALL_LINUX:
+        "curl https://sh.rustup.rs -sSf | sh -s -- --default-toolchain stable -y"
+      CIBW_ENVIRONMENT: 'PATH="$PATH:$HOME/.cargo/bin"'
 
-  #   steps:
-  #     - uses: actions/checkout@v3
+    steps:
+      - uses: actions/checkout@v3
 
-  #     - name: Build wheels
-  #       uses: pypa/cibuildwheel@v2.8.1
-  #       with:
-  #         package-dir: .
-  #         output-dir: wheelhouse
-  #       env:
-  #         CIBW_SKIP: "cp36-* cp311* pp*"
+      - name: Build wheels
+        uses: pypa/cibuildwheel@v2.12.0
 
-  #     - uses: actions/upload-artifact@v3
-  #       with:
-  #         path: ./wheelhouse/*.whl
+      - uses: actions/upload-artifact@v3
+        with:
+          path: ./wheelhouse/*.whl
 
   build:
     name: Build source distribution
@@ -38,19 +43,18 @@ jobs:
       - uses: actions/checkout@v3
 
       - name: Build sdist
-        run: pipx run build --sdist --wheel
+        run: pipx run build --sdist
 
       - uses: actions/upload-artifact@v3
         with:
           path: dist/
 
   upload_testpypi:
-    needs: build
+    needs: [build, build_wheels]
     runs-on: ubuntu-latest
-    # Publish when a GitHub Release is created, use the following rule:
-    if: github.event_name == 'release' && github.event.action == 'published'
     steps:
-      - uses: actions/download-artifact@v3
+      - name: get artifacts
+        uses: actions/download-artifact@v3
         with:
           # unpacks default artifact into dist/
           # if `name: artifact` is omitted, the action will create extra parent dir
@@ -59,24 +63,35 @@ jobs:
 
       - uses: pypa/gh-action-pypi-publish@v1.6.4
         with:
+          # If you've already pushed this version to TestPyPI, don't fail the job
+          skip_existing: true
           user: __token__
           password: ${{ secrets.TEST_PYPI_API_TOKEN }}
           repository_url: https://test.pypi.org/legacy/
 
   upload_pypi:
-    needs: build
+    needs: [build, build_wheels]
     runs-on: ubuntu-latest
     # Publish when a GitHub Release is created, use the following rule:
     if: github.event_name == 'release' && github.event.action == 'published'
     steps:
-      - uses: actions/download-artifact@v3
+      - name: get artifacts
+        uses: actions/download-artifact@v3
         with:
           # unpacks default artifact into dist/
           # if `name: artifact` is omitted, the action will create extra parent dir
           name: artifact
           path: dist
 
-      - uses: pypa/gh-action-pypi-publish@v1.6.4
+      - run: pipx run twine check dist/*
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@v1.6.4
         with:
           user: __token__
           password: ${{ secrets.PYPI_API_TOKEN }}
+
+      - name: Upload artifacts to release
+        uses: softprops/action-gh-release@v1
+        with:
+          files: dist/*
diff --git a/.readthedocs.yml b/.readthedocs.yml
index 572d87c..ffff8cf 100644
--- a/.readthedocs.yml
+++ b/.readthedocs.yml
@@ -7,3 +7,5 @@ python:
   version: 3.8
   install:
     - requirements: docs/requirements.txt
+    - method: pip
+      path: .
diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md
index 277e3f3..cc353cd 100644
--- a/CONTRIBUTING.md
+++ b/CONTRIBUTING.md
@@ -43,17 +43,25 @@ If you are proposing a feature:
 Ready to contribute? Here's how to set up `pywaterflood` for local development.
 
 1. Download a copy of `pywaterflood` locally.
-2. Install `pywaterflood` using `pip`:
 
    ```console
-   $ pip install .
+   git clone https://github.com/frank1010111/pywaterflood.git
+   ```
+
+2. Install `pywaterflood` in a virtual environment using `maturin`:
+
+   ```console
+   python -m venv venv
+   source venv/bin/activate  # assuming linux, MacOS, or git-bash
+   pip install maturin
+   maturin develop
    ```
 
 3. Use `git` (or similar) to create a branch for local development and make your
    changes:
 
    ```console
-   $ git checkout -b name-of-your-bugfix-or-feature
+   git checkout -b name-of-your-bugfix-or-feature
    ```
 
 4. When you're done making changes, check that your changes conform to any code
diff --git a/Cargo.lock b/Cargo.lock
new file mode 100644
index 0000000..2ff3171
--- /dev/null
+++ b/Cargo.lock
@@ -0,0 +1,320 @@
+# This file is automatically @generated by Cargo.
+# It is not intended for manual editing.
+version = 3
+
+[[package]]
+name = "autocfg"
+version = "1.1.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "d468802bab17cbc0cc575e9b053f41e72aa36bfa6b7f55e3529ffa43161b97fa"
+
+[[package]]
+name = "bitflags"
+version = "1.3.2"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "bef38d45163c2f1dde094a7dfd33ccf595c92905c8f8f4fdc18d06fb1037718a"
+
+[[package]]
+name = "cfg-if"
+version = "1.0.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "baf1de4339761588bc0619e3cbc0120ee582ebb74b53b4efbf79117bd2da40fd"
+
+[[package]]
+name = "indoc"
+version = "1.0.6"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "05a0bd019339e5d968b37855180087b7b9d512c5046fbd244cf8c95687927d6e"
+
+[[package]]
+name = "libc"
+version = "0.2.126"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "349d5a591cd28b49e1d1037471617a32ddcda5731b99419008085f72d5a53836"
+
+[[package]]
+name = "lock_api"
+version = "0.4.7"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "327fa5b6a6940e4699ec49a9beae1ea4845c6bab9314e4f84ac68742139d8c53"
+dependencies = [
+ "autocfg",
+ "scopeguard",
+]
+
+[[package]]
+name = "matrixmultiply"
+version = "0.3.2"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "add85d4dd35074e6fedc608f8c8f513a3548619a9024b751949ef0e8e45a4d84"
+dependencies = [
+ "rawpointer",
+]
+
+[[package]]
+name = "ndarray"
+version = "0.15.4"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "dec23e6762830658d2b3d385a75aa212af2f67a4586d4442907144f3bb6a1ca8"
+dependencies = [
+ "matrixmultiply",
+ "num-complex",
+ "num-integer",
+ "num-traits",
+ "rawpointer",
+]
+
+[[package]]
+name = "num-complex"
+version = "0.4.2"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "7ae39348c8bc5fbd7f40c727a9925f03517afd2ab27d46702108b6a7e5414c19"
+dependencies = [
+ "num-traits",
+]
+
+[[package]]
+name = "num-integer"
+version = "0.1.45"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "225d3389fb3509a24c93f5c29eb6bde2586b98d9f016636dff58d7c6f7569cd9"
+dependencies = [
+ "autocfg",
+ "num-traits",
+]
+
+[[package]]
+name = "num-traits"
+version = "0.2.15"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "578ede34cf02f8924ab9447f50c28075b4d3e5b269972345e7e0372b38c6cdcd"
+dependencies = [
+ "autocfg",
+]
+
+[[package]]
+name = "numpy"
+version = "0.16.2"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "383ae168529a39fc97cbc1d9d4fa865377731a519bc27553ed96f50594de7c45"
+dependencies = [
+ "libc",
+ "ndarray",
+ "num-complex",
+ "num-traits",
+ "pyo3",
+]
+
+[[package]]
+name = "once_cell"
+version = "1.13.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "18a6dbe30758c9f83eb00cbea4ac95966305f5a7772f3f42ebfc7fc7eddbd8e1"
+
+[[package]]
+name = "parking_lot"
+version = "0.12.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "3742b2c103b9f06bc9fff0a37ff4912935851bee6d36f3c02bcc755bcfec228f"
+dependencies = [
+ "lock_api",
+ "parking_lot_core",
+]
+
+[[package]]
+name = "parking_lot_core"
+version = "0.9.3"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "09a279cbf25cb0757810394fbc1e359949b59e348145c643a939a525692e6929"
+dependencies = [
+ "cfg-if",
+ "libc",
+ "redox_syscall",
+ "smallvec",
+ "windows-sys",
+]
+
+[[package]]
+name = "proc-macro2"
+version = "1.0.40"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "dd96a1e8ed2596c337f8eae5f24924ec83f5ad5ab21ea8e455d3566c69fbcaf7"
+dependencies = [
+ "unicode-ident",
+]
+
+[[package]]
+name = "pyo3"
+version = "0.16.5"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "1e6302e85060011447471887705bb7838f14aba43fcb06957d823739a496b3dc"
+dependencies = [
+ "cfg-if",
+ "indoc",
+ "libc",
+ "parking_lot",
+ "pyo3-build-config",
+ "pyo3-ffi",
+ "pyo3-macros",
+ "unindent",
+]
+
+[[package]]
+name = "pyo3-build-config"
+version = "0.16.5"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "b5b65b546c35d8a3b1b2f0ddbac7c6a569d759f357f2b9df884f5d6b719152c8"
+dependencies = [
+ "once_cell",
+ "target-lexicon",
+]
+
+[[package]]
+name = "pyo3-ffi"
+version = "0.16.5"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "c275a07127c1aca33031a563e384ffdd485aee34ef131116fcd58e3430d1742b"
+dependencies = [
+ "libc",
+ "pyo3-build-config",
+]
+
+[[package]]
+name = "pyo3-macros"
+version = "0.16.5"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "284fc4485bfbcc9850a6d661d627783f18d19c2ab55880b021671c4ba83e90f7"
+dependencies = [
+ "proc-macro2",
+ "pyo3-macros-backend",
+ "quote",
+ "syn",
+]
+
+[[package]]
+name = "pyo3-macros-backend"
+version = "0.16.5"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "53bda0f58f73f5c5429693c96ed57f7abdb38fdfc28ae06da4101a257adb7faf"
+dependencies = [
+ "proc-macro2",
+ "quote",
+ "syn",
+]
+
+[[package]]
+name = "pywaterflood"
+version = "0.2.0"
+dependencies = [
+ "ndarray",
+ "numpy",
+ "pyo3",
+]
+
+[[package]]
+name = "quote"
+version = "1.0.20"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "3bcdf212e9776fbcb2d23ab029360416bb1706b1aea2d1a5ba002727cbcab804"
+dependencies = [
+ "proc-macro2",
+]
+
+[[package]]
+name = "rawpointer"
+version = "0.2.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "60a357793950651c4ed0f3f52338f53b2f809f32d83a07f72909fa13e4c6c1e3"
+
+[[package]]
+name = "redox_syscall"
+version = "0.2.13"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "62f25bc4c7e55e0b0b7a1d43fb893f4fa1361d0abe38b9ce4f323c2adfe6ef42"
+dependencies = [
+ "bitflags",
+]
+
+[[package]]
+name = "scopeguard"
+version = "1.1.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "d29ab0c6d3fc0ee92fe66e2d99f700eab17a8d57d1c1d3b748380fb20baa78cd"
+
+[[package]]
+name = "smallvec"
+version = "1.9.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "2fd0db749597d91ff862fd1d55ea87f7855a744a8425a64695b6fca237d1dad1"
+
+[[package]]
+name = "syn"
+version = "1.0.98"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "c50aef8a904de4c23c788f104b7dddc7d6f79c647c7c8ce4cc8f73eb0ca773dd"
+dependencies = [
+ "proc-macro2",
+ "quote",
+ "unicode-ident",
+]
+
+[[package]]
+name = "target-lexicon"
+version = "0.12.4"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "c02424087780c9b71cc96799eaeddff35af2bc513278cda5c99fc1f5d026d3c1"
+
+[[package]]
+name = "unicode-ident"
+version = "1.0.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "5bd2fe26506023ed7b5e1e315add59d6f584c621d037f9368fea9cfb988f368c"
+
+[[package]]
+name = "unindent"
+version = "0.1.9"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "52fee519a3e570f7df377a06a1a7775cdbfb7aa460be7e08de2b1f0e69973a44"
+
+[[package]]
+name = "windows-sys"
+version = "0.36.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "ea04155a16a59f9eab786fe12a4a450e75cdb175f9e0d80da1e17db09f55b8d2"
+dependencies = [
+ "windows_aarch64_msvc",
+ "windows_i686_gnu",
+ "windows_i686_msvc",
+ "windows_x86_64_gnu",
+ "windows_x86_64_msvc",
+]
+
+[[package]]
+name = "windows_aarch64_msvc"
+version = "0.36.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "9bb8c3fd39ade2d67e9874ac4f3db21f0d710bee00fe7cab16949ec184eeaa47"
+
+[[package]]
+name = "windows_i686_gnu"
+version = "0.36.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "180e6ccf01daf4c426b846dfc66db1fc518f074baa793aa7d9b9aaeffad6a3b6"
+
+[[package]]
+name = "windows_i686_msvc"
+version = "0.36.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "e2e7917148b2812d1eeafaeb22a97e4813dfa60a3f8f78ebe204bcc88f12f024"
+
+[[package]]
+name = "windows_x86_64_gnu"
+version = "0.36.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "4dcd171b8776c41b97521e5da127a2d86ad280114807d0b2ab1e462bc764d9e1"
+
+[[package]]
+name = "windows_x86_64_msvc"
+version = "0.36.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "c811ca4a8c853ef420abd8592ba53ddbbac90410fab6903b3e79972a631f7680"
diff --git a/Cargo.toml b/Cargo.toml
new file mode 100644
index 0000000..2846c0f
--- /dev/null
+++ b/Cargo.toml
@@ -0,0 +1,15 @@
+[package]
+name = "pywaterflood"
+version = "0.2.0"
+edition = "2018"
+
+
+[lib]
+name = "pywaterflood"
+# "cdylib" is necessary to produce a shared library for Python to import from.
+crate-type = ["cdylib"]
+
+[dependencies]
+ndarray = "0.15.4"
+numpy = "0.16.2"
+pyo3 = { version = "0.16", features = ["extension-module", "abi3-py37"] }
diff --git a/Dockerfile b/Dockerfile
index 8cde782..682b5de 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -1,9 +1,12 @@
 FROM python:3.9-slim AS builder
 
+RUN apt update && apt install -y curl build-essential
+RUN curl https://sh.rustup.rs -sSf | sh -s -- --default-toolchain stable -y
+ENV PATH="$PATH:/root/.cargo/bin/"
+RUN pip install --no-cache-dir --upgrade pip
 RUN mkdir /src
 COPY . /src/
-RUN pip install --no-cache-dir --upgrade pip setuptools wheel && \
-    cd /src && \
+RUN cd /src && \
     pip install --user --no-cache-dir .
 
 FROM python:3.9-slim
diff --git a/noxfile.py b/noxfile.py
new file mode 100644
index 0000000..7526cb9
--- /dev/null
+++ b/noxfile.py
@@ -0,0 +1,63 @@
+"""Nox sessions for linting, docs, and testing."""
+from __future__ import annotations
+
+import shutil
+from pathlib import Path
+
+import nox
+
+DIR = Path(__file__).parent.resolve()
+
+nox.options.sessions = ["lint", "tests"]
+
+
+@nox.session
+def lint(session: nox.Session) -> None:
+    """Run the linter.
+
+    Includes all the pre-commit checks on all the files.
+    """
+    session.install("pre-commit")
+    session.run("pre-commit", "run", "--all-files", *session.posargs)
+
+
+@nox.session
+def tests(session: nox.Session) -> None:
+    """Run the unit and regular tests."""
+    session.install("maturin")
+    # You have to run `maturin develop` to avoid this: https://github.com/PyO3/maturin/issues/490
+    session.run("maturin", "develop", "--release", "--extras=test")
+    session.run(
+        "pytest",
+        "--cov=pywaterflood",
+        "--cov-append",
+        "--cov-report=xml",
+        *session.posargs,
+    )
+
+
+@nox.session
+def docs(session: nox.Session) -> None:
+    """Build the docs. Pass "serve" to serve."""
+    session.install(".[docs]")
+    session.chdir("docs")
+    session.install("-r", "requirements.txt")
+    session.run("sphinx-build", "-M", "html", ".", "_build")
+
+    if session.posargs:
+        if "serve" in session.posargs:
+            print("Launching docs at http://localhost:8000/ - use Ctrl-C to quit")
+            session.run("python", "-m", "http.server", "8000", "-d", "_build/html")
+        else:
+            session.warn("Unsupported argument to docs")
+
+
+@nox.session
+def build(session: nox.Session) -> None:
+    """Build an SDist and a wheel."""
+    build_p = DIR.joinpath("build")
+    if build_p.exists():
+        shutil.rmtree(build_p)
+
+    session.install("build")
+    session.run("python", "-m", "build", "-o", "build")
diff --git a/poetry.lock b/poetry.lock
deleted file mode 100644
index f92169b..0000000
--- a/poetry.lock
+++ /dev/null
@@ -1,3681 +0,0 @@
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-
-[package.dependencies]
-idna = ">=2.8"
-sniffio = ">=1.1"
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-[package.extras]
-doc = ["packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx-rtd-theme"]
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-trio = ["trio (>=0.16)"]
-
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-name = "appnope"
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-
-[[package]]
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-description = "The secure Argon2 password hashing algorithm."
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-optional = true
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-
-[package.dependencies]
-argon2-cffi-bindings = "*"
-
-[package.extras]
-dev = ["cogapp", "coverage[toml] (>=5.0.2)", "furo", "hypothesis", "pre-commit", "pytest", "sphinx", "sphinx-notfound-page", "tomli"]
-docs = ["furo", "sphinx", "sphinx-notfound-page"]
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-
-[[package]]
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-description = "Low-level CFFI bindings for Argon2"
-category = "main"
-optional = true
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-
-[package.dependencies]
-cffi = ">=1.0.1"
-
-[package.extras]
-dev = ["cogapp", "pre-commit", "pytest", "wheel"]
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-
-[package.dependencies]
-lazy-object-proxy = ">=1.4.0"
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-
-[[package]]
-name = "asttokens"
-version = "2.0.8"
-description = "Annotate AST trees with source code positions"
-category = "main"
-optional = true
-python-versions = "*"
-
-[package.dependencies]
-six = "*"
-
-[package.extras]
-test = ["astroid (<=2.5.3)", "pytest"]
-
-[[package]]
-name = "atomicwrites"
-version = "1.4.1"
-description = "Atomic file writes."
-category = "dev"
-optional = false
-python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
-
-[[package]]
-name = "attrs"
-version = "22.1.0"
-description = "Classes Without Boilerplate"
-category = "main"
-optional = false
-python-versions = ">=3.5"
-
-[package.extras]
-dev = ["cloudpickle", "coverage[toml] (>=5.0.2)", "furo", "hypothesis", "mypy (>=0.900,!=0.940)", "pre-commit", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "sphinx", "sphinx-notfound-page", "zope.interface"]
-docs = ["furo", "sphinx", "sphinx-notfound-page", "zope.interface"]
-tests = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "mypy (>=0.900,!=0.940)", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "zope.interface"]
-tests-no-zope = ["cloudpickle", "coverage[toml] (>=5.0.2)", "hypothesis", "mypy (>=0.900,!=0.940)", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins"]
-
-[[package]]
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-category = "main"
-optional = true
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-
-[package.dependencies]
-pytz = ">=2015.7"
-
-[[package]]
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-
-[[package]]
-name = "beautifulsoup4"
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-category = "main"
-optional = true
-python-versions = ">=3.6.0"
-
-[package.dependencies]
-soupsieve = ">1.2"
-
-[package.extras]
-html5lib = ["html5lib"]
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-[[package]]
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-[package.extras]
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-
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-
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-colorama = {version = "*", markers = "platform_system == \"Windows\""}
-
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-category = "main"
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-
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-[package.extras]
-devel = ["colorama", "json-spec", "jsonschema", "pylint", "pytest", "pytest-benchmark", "pytest-cache", "validictory"]
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diff --git a/pyproject.toml b/pyproject.toml
index bcb0ed6..ff7941a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,12 +1,10 @@
-[tool.poetry]
+[project]
 name = "pywaterflood"
-version = "0.2.1-beta.2"
+version = "0.2.1b3"
 description = "Physics-inspired waterflood performance modeling"
-authors = ["Frank Male <frmale@utexas.edu>"]
-license = "BSD"
+authors = [{name = "Frank Male", email ="frmale@utexas.edu"}]
+license = {file = "LICENSE"}
 readme = "README.md"
-repository = "https://github.com/frank1010111/pywaterflood"
-documentation = "https://pywaterflood.readthedocs.io"
 classifiers = [
     "Programming Language :: Python :: 3",
     "License :: OSI Approved :: BSD License",
@@ -16,57 +14,47 @@ classifiers = [
     "Topic :: Scientific/Engineering",
     "Topic :: Scientific/Engineering :: Hydrology",
 ]
+requires-python = ">=3.7"
+dependencies = [
+    "numpy >=1.21",
+    "scipy >=1.4",
+    "pandas >=1.3.5",
+    "openpyxl >=3.0.9",
+    "joblib >=1.1.0",
+]
 
-[tool.poetry.dependencies]
-python = ">=3.8.0,<3.11"
-numpy = ">=1.22"
-scipy = ">=1.4"
-pandas = ">=1.3.5"
-openpyxl = ">=3.0.9"
-joblib = ">=1.1.0"
-numba = ">=0.55.1"
-# optional
-jupyterlab = {version = ">=3.2", optional = true}
-seaborn = {version = ">=0.10", optional = true}
-sphinx = {version = ">=4.2.0", optional = true}
-sphinx-autoapi = {version = ">=1.8.4", optional = true}
-sphinx-rtd-theme = {version = ">=1.0", optional = true}
-myst-nb = {version = ">=0.13.1", optional = true}
-
-[tool.poetry.dev-dependencies]
-black = ">=22"
-flake8 = ">=4.0.1"
-flake8-bugbear = ">=21.11.29"
-flake8-builtins = ">=1.5.3"
-flake8-comprehensions = ">=3.7.0"
-flake8-string-format = ">=0.3.0"
-mypy = ">=0.920"
-pre-commit = ">=2.0"
-pytest = ">=6.2.5"
-pydocstyle = ">=6.1.1"
-pytest-cov = ">=3.0.0"
-tox = ">=3.24.4"
-coverage = {version = ">=6.3.3", extras = ["toml"]}
-tox-gh-actions = ">=2.9.1"
-
-[tool.poetry.extras]
+[project.optional-dependencies]
+test = [
+    "pytest >=6.2.5",
+    "pytest-cov >=3.0.0",
+    "coverage[toml] >=6.3.3",
+]
 docs = [
+    "myst-nb",
     "sphinx",
     "sphinx-autoapi",
     "sphinx-rtd-theme",
-    "myst-nb",
 ]
 devwork = [
-    "jupyterlab",
+    "ipykernel",
     "seaborn",
 ]
 
-[tool.poetry.urls]
+[project.urls]
+repository = "https://github.com/frank1010111/pywaterflood"
+documentation = "https://pywaterflood.readthedocs.io"
 "Bug Tracker" = "https://github.com/frank1010111/pywaterflood/issues"
 
 [build-system]
-requires = ["poetry-core>=1.0.0"]
-build-backend = "poetry.core.masonry.api"
+requires = ["maturin>=0.13"]
+build-backend = "maturin"
+
+[tool.maturin]
+# Include arbitrary files in the sdist
+sdist-include = []
+compatibility = "manylinux2014"
+# Bindings type
+bindings = "pyo3"
 
 [tool.coverage.run]
 branch = true
diff --git a/pywaterflood/crm.py b/pywaterflood/crm.py
index a5cb62c..1186a12 100644
--- a/pywaterflood/crm.py
+++ b/pywaterflood/crm.py
@@ -1,17 +1,16 @@
-"""Analyze waterfloods with capacitance-resistance models. # noqa: D401,D400
-
-Classes
--------
-CRM : standard capacitance resistance modeling
-CrmCompensated : including pressure
-
-Methods
--------
-q_primary : primary production
-q_CRM_perpair : production due to injection (injector-producer pairs)
-q_CRM_perproducer : production due to injection (one producer, many injectors)
-q_bhp : production from changing bottomhole pressures of producers
-"""
+"""Analyze waterfloods with capacitance-resistance models.
+
+This is the central module in :code:`pywaterflood`, based around the:code:`CRM`
+class, which implements the standard capacitance-resistance models. For most
+cases, the best performance comes from selecting
+:code:`CRM(primary=True, tau_selection="per-pair", constraints="up-to one")`.
+If the data is too sparse, then change :code:`tau_selection` to "per-producer".
+
+The base class assumes constant bottomhole pressures for the producing wells.
+If you know the pressures for these wells or at least the trend, consider using
+:code:`CrmCompensated`.
+
+"""  # noqa: D401,D400
 from __future__ import annotations
 
 import pickle
@@ -20,18 +19,19 @@
 import numpy as np
 import pandas as pd
 from joblib import Parallel, delayed
-from numba import njit
 from numpy.typing import NDArray
 from scipy import optimize
 
+import pywaterflood.pywaterflood as pwf
+
 
-@njit
 def q_primary(
     production: NDArray, time: NDArray, gain_producer: float, tau_producer: float
 ) -> NDArray:
     """Calculate primary production contribution.
 
-    Uses Arps equation with b=0
+    Uses Arps equation with :math:`b=0`
+
     .. math::
         q_{p}(t) = q_i e^{-bt}
 
@@ -51,17 +51,14 @@ def q_primary(
     q_hat : NDArray
         Calculated production, size: Number of time steps
     """
-    time_decay = np.exp(-time / tau_producer)
-    q_hat = time_decay * production[0] * gain_producer
-    return q_hat
+    return pwf.q_primary(production, time, gain_producer, tau_producer)
 
 
-@njit
 def q_CRM_perpair(injection: NDArray, time: NDArray, gains: NDArray, taus: NDArray) -> NDArray:
     """Calculate per injector-producer pair production.
 
     Runs for influences of each injector on one producer, assuming
-    individual `gain`s and `tau`s for each pair
+    individual :code:`gain` and :code:`tau` for each pair
 
     Args
     ----------
@@ -81,28 +78,9 @@ def q_CRM_perpair(injection: NDArray, time: NDArray, gains: NDArray, taus: NDArr
     q_hat : NDArray
         Calculated production, size: Number of time steps
     """
-    n = len(time)
-    q_hat = np.zeros(n)
-    conv_injected = np.zeros((n, injection.shape[1]))
-
-    # Compute convolved injection rates
-    for j in range(injection.shape[1]):
-        conv_injected[0, j] += (1 - np.exp((time[0] - time[1]) / taus[j])) * injection[0, j]
-        for k in range(1, n):
-            for m in range(1, k + 1):
-                time_decay = (1 - np.exp((time[m - 1] - time[m]) / taus[j])) * np.exp(
-                    (time[m] - time[k]) / taus[j]
-                )
-                conv_injected[k, j] += time_decay * injection[m, j]
+    return pwf.q_crm_perpair(injection, time, gains, taus)
 
-    # Calculate waterflood rates
-    for k in range(n):
-        for j in range(injection.shape[1]):
-            q_hat[k] += gains[j] * conv_injected[k, j]
-    return q_hat
 
-
-@njit
 def q_CRM_perproducer(injection: NDArray, time: NDArray, gain: NDArray, tau: float) -> NDArray:
     """Calculate per injector-producer pair production (simplified tank).
 
@@ -129,21 +107,11 @@ def q_CRM_perproducer(injection: NDArray, time: NDArray, gain: NDArray, tau: flo
     return q_CRM_perpair(injection, time, gain, tau2)
 
 
-@njit
-def _pressure_diff(pressure_local: NDArray, pressure: NDArray) -> NDArray:
-    """Pressure differences from local to each producer each timestep."""
-    n_t, n_p = pressure.shape
-    pressure_diff = np.zeros((n_p, n_t))
-    for j in range(n_p):
-        for t in range(1, n_t):
-            pressure_diff[j, t] = pressure_local[t - 1] - pressure[t, j]
-    return pressure_diff
-
-
 def q_bhp(pressure_local: NDArray, pressure: NDArray, v_matrix: NDArray) -> NDArray:
     r"""Calculate the production effect from bottom-hole pressure variation.
 
     This looks like
+
     .. math::
         q_{BHP,j}(t_i) = \sum_{k} v_{kj}\left[ p_j(t_{i-1}) - p_k(t_i) \right]
 
@@ -162,9 +130,7 @@ def q_bhp(pressure_local: NDArray, pressure: NDArray, v_matrix: NDArray) -> NDAr
         production from changing BHP
         shape: n_time
     """
-    pressure_diff = _pressure_diff(pressure_local, pressure)
-    q = np.einsum("j,jt->t", v_matrix, pressure_diff)
-    return q
+    return pwf.q_bhp(pressure_local, pressure, v_matrix)
 
 
 def random_weights(n_prod: int, n_inj: int, axis: int = 0, seed: int | None = None) -> NDArray:
@@ -191,10 +157,10 @@ def random_weights(n_prod: int, n_inj: int, axis: int = 0, seed: int | None = No
 class CRM:
     """A Capacitance Resistance Model history matcher.
 
-    CRM uses a physics-inspired mass balance approach to explain production for \
-        waterfloods. It treats each injector-producer well pair as a system \
-        with mass input, output, and pressure related to the mass balance. \
-        Several versions exist. Select them from the arguments.
+    CRM uses a physics-inspired mass balance approach to explain production for
+    waterfloods. It treats each injector-producer well pair as a system
+    with mass input, output, and pressure related to the mass balance.
+    Several versions exist. Select them from the arguments.
 
     Args
     ----------
@@ -659,7 +625,8 @@ def fit(
             initial guesses for gains, taus, primary production
             contribution
             shape: (len(guess), n_producers)
-        num_cores (int): number of cores to run fitting procedure on, defaults to 1
+        num_cores : int
+            number of cores to run fitting procedure on, defaults to 1
         random : bool
             whether to randomly initialize the gains
         **kwargs:
diff --git a/pywaterflood/multiwellproductivity.py b/pywaterflood/multiwellproductivity.py
index d9c5aef..966ae98 100644
--- a/pywaterflood/multiwellproductivity.py
+++ b/pywaterflood/multiwellproductivity.py
@@ -5,9 +5,10 @@
 import numpy as np
 import pandas as pd
 import scipy.linalg as sl
-from numba import njit
 from numpy import ndarray
 
+import pywaterflood.pywaterflood as pwf
+
 idx = pd.IndexSlice
 
 
@@ -121,7 +122,7 @@ def calc_influence_matrix(
     influence_matrix = pd.DataFrame(
         index=pd.MultiIndex.from_product([XA.index, XB.index]), columns=["A"]
     )
-    m = 1 + np.arange(m_max)  # elements of sum
+    m = np.arange(1, m_max + 1, dtype="uint64")  # elements of sum
     for i, j in influence_matrix.index:
         x_i, y_i = XA.loc[i, ["X", "Y"]]
         x_j, y_j = XB.loc[j, ["X", "Y"]] + 1e-6
@@ -129,7 +130,6 @@ def calc_influence_matrix(
     return influence_matrix["A"].astype(float).unstack()
 
 
-@njit
 def calc_A_ij(x_i: float, y_i: float, x_j: float, y_j: float, y_D: float, m: ndarray) -> float:
     r"""Calculate element in the influence matrix.
 
@@ -164,53 +164,4 @@ def calc_A_ij(x_i: float, y_i: float, x_j: float, y_j: float, y_D: float, m: nda
     -------
     A_ij : float
     """
-    first_term = 2 * np.pi * y_D * (1 / 3.0 - y_i / y_D + (y_i**2 + y_j**2) / (2 * y_D**2))
-    return first_term + calc_summed_term(x_i, y_i, x_j, y_j, y_D, m)
-
-
-@njit
-def calc_summed_term(
-    x_i: float, y_i: float, x_j: float, y_j: float, y_D: float, m: ndarray
-) -> float:
-    r"""Calculate summed term using Valkó 2000 equations A4-7.
-
-    .. math::
-        \sum_{m=1}^\infty \frac{t_m}m \cos(m\pi \tilde x_i)
-        \cos(m \pi \tilde x_j)
-    where
-
-    .. math::
-        t_m = \frac{\cosh\left(m\pi (y_D - |\tilde y_i - \tilde y_j|)\right)
-        + \cosh\left(m\pi (y_D - \tilde y_i - \tilde y_j\right)}
-        {\sinh\left(m\pi y_D \right)}
-
-    Args
-    ----
-    x_i : float
-        x-location of i'th well
-    y_i : float
-        y-location of i'th well
-    x_j : float
-        x-location of j'th well
-    y_j : float
-        y-location of j'th well
-    y_D : float
-        dimensionless parameter for y-direction
-    m : ndarray
-        series terms, from 1 to m_max
-
-    Returns
-    -------
-    summed_term : float
-    """
-    tm = (
-        np.cosh(m * np.pi * (y_D - np.abs(y_i - y_j))) + np.cosh(m * np.pi * (y_D - y_i - y_j))
-    ) / np.sinh(m * np.pi * y_D)
-
-    S1 = 2 * np.sum(tm / m * np.cos(m * np.pi * x_i) * np.cos(m * np.pi * x_j))
-    tN = tm[-1]
-    S2 = -tN / 2 * np.log(
-        (1 - np.cos(np.pi * (x_i + x_j))) ** 2 + np.sin(np.pi * (x_i + x_j)) ** 2
-    ) - tN / 2 * np.log((1 - np.cos(np.pi * (x_i - x_j))) ** 2 + np.sin(np.pi * (x_i - x_j)) ** 2)
-    S3 = -2 * tN * np.sum(1 / m * np.cos(m * np.pi * x_i) * np.cos(m * np.pi * x_j))
-    return S1 + S2 + S3
+    return pwf.calc_A_ij(x_i, y_i, x_j, y_j, y_D, m)
diff --git a/src/lib.rs b/src/lib.rs
new file mode 100644
index 0000000..c5eb59f
--- /dev/null
+++ b/src/lib.rs
@@ -0,0 +1,162 @@
+// library
+
+use std::f64::consts::PI;
+
+use ndarray::{Array1, Array2, ArrayView1, ArrayView2};
+use numpy::{IntoPyArray, PyArray1, PyReadonlyArray1, PyReadonlyArray2};
+use pyo3::{pymodule, types::PyModule, PyResult, Python};
+
+#[pymodule]
+fn pywaterflood(_py: Python, m: &PyModule) -> PyResult<()> {
+    fn q_primary(
+        production: ArrayView1<'_, f64>,
+        time: ArrayView1<'_, f64>,
+        gain_producer: f64,
+        tau_producer: f64,
+    ) -> Array1<f64> {
+        let time_decay = (-&time / tau_producer).mapv(f64::exp);
+        time_decay * production[[0]] * gain_producer
+    }
+
+    fn q_crm_perpair(
+        injection: ArrayView2<'_, f64>,
+        time: ArrayView1<'_, f64>,
+        gains: ArrayView1<'_, f64>,
+        taus: ArrayView1<'_, f64>,
+    ) -> Array1<f64> {
+        let n_t = time.raw_dim()[0];
+        let n_inj = gains.raw_dim()[0];
+        let mut convolve: Array2<f64> = Array2::zeros([n_t, n_inj]);
+
+        for j in 0..n_inj {
+            convolve[[0, j]] = (1.0 - ((time[0] - time[1]) / taus[j]).exp()) * injection[[0, j]];
+            for k in 1..n_t {
+                for m in 1..k + 1 {
+                    let time_decay = (1.0 - ((time[m - 1] - time[m]) / taus[j]).exp())
+                        * ((time[m] - time[k]) / taus[j]).exp();
+                    convolve[[k, j]] += time_decay * injection[[m, j]];
+                }
+            }
+        }
+        convolve.dot(&gains)
+    }
+
+    fn q_bhp(
+        pressure_local: ArrayView1<'_, f64>,
+        pressure: ArrayView2<'_, f64>,
+        v_matrix: ArrayView1<'_, f64>,
+    ) -> Array1<f64> {
+        let n_t: usize = pressure.raw_dim()[0];
+        let n_prod: usize = pressure.raw_dim()[1];
+        let mut pressure_diff: Array2<f64> = Array2::zeros([n_t, n_prod]);
+        for j in 0..n_prod {
+            for t in 1..n_t {
+                pressure_diff[[t, j]] = pressure_local[t - 1] - pressure[[t, j]]
+            }
+        }
+        pressure_diff.dot(&v_matrix)
+    }
+
+    fn calc_a_ij(x_i: f64, y_i: f64, x_j: f64, y_j: f64, y_d: f64, m: ArrayView1<u64>) -> f64 {
+        let first_term = 2.0
+            * PI
+            * y_d
+            * (1.0 / 3.0 - y_i / y_d + (y_i.powi(2) + y_j.powi(2)) / (2.0 * y_d.powi(2)));
+
+        let t = m.map(|&mm| {
+            (f64::cosh(mm as f64 * PI * (y_d - f64::abs(y_i - y_j)))
+                + f64::cosh(mm as f64 * PI * (y_d - y_i - y_j)))
+                / f64::sinh(mm as f64 * PI * y_d)
+        });
+        let s1 = 2.0
+            * t.iter()
+                .zip(m)
+                .map(|(&tm, &mm)| {
+                    tm / (mm as f64)
+                        * f64::cos(mm as f64 * PI * x_i)
+                        * f64::cos(mm as f64 * PI * x_j)
+                })
+                .sum::<f64>();
+        let tn = *t.last().unwrap();
+        let s2 = -tn / 2.0
+            * f64::ln(
+                (1.0 - f64::cos(PI * (x_i + x_j))).powi(2) + f64::sin(PI * (x_i + x_j)).powi(2),
+            )
+            - tn / 2.0
+                * f64::ln(
+                    (1.0 - f64::cos(PI * (x_i - x_j))).powi(2) + f64::sin(PI * (x_i - x_j)).powi(2),
+                );
+        let s3 = -2.0
+            * tn
+            * m.map(|&mm| {
+                1.0 / mm as f64 * f64::cos(mm as f64 * PI * x_i) * f64::cos(mm as f64 * PI * x_j)
+            })
+            .sum();
+        first_term + s1 + s2 + s3
+    }
+
+    //wrapper
+    #[pyfn(m)]
+    #[pyo3(name = "q_primary")]
+    fn q_primary_py<'py>(
+        py: Python<'py>,
+        production: PyReadonlyArray1<f64>,
+        time: PyReadonlyArray1<f64>,
+        gain_producer: f64,
+        tau_producer: f64,
+    ) -> &'py PyArray1<f64> {
+        let production = production.as_array();
+        let time = time.as_array();
+        let q = q_primary(production, time, gain_producer, tau_producer);
+        q.into_pyarray(py)
+    }
+
+    #[pyfn(m)]
+    #[pyo3(name = "q_crm_perpair")]
+    fn q_crm_perpair_py<'py>(
+        py: Python<'py>,
+        injection: PyReadonlyArray2<f64>,
+        time: PyReadonlyArray1<f64>,
+        gains: PyReadonlyArray1<'_, f64>,
+        taus: PyReadonlyArray1<'_, f64>,
+    ) -> &'py PyArray1<f64> {
+        let injection = injection.as_array();
+        let time = time.as_array();
+        let gains = gains.as_array();
+        let taus = taus.as_array();
+        let q = q_crm_perpair(injection, time, gains, taus);
+        q.into_pyarray(py)
+    }
+
+    #[pyfn(m)]
+    #[pyo3(name = "q_bhp")]
+    fn q_bhp_py<'py>(
+        py: Python<'py>,
+        pressure_local: PyReadonlyArray1<'_, f64>,
+        pressure: PyReadonlyArray2<'_, f64>,
+        v_matrix: PyReadonlyArray1<'_, f64>,
+    ) -> &'py PyArray1<f64> {
+        let pressure_local = pressure_local.as_array();
+        let pressure = pressure.as_array();
+        let v_matrix = v_matrix.as_array();
+        let q = q_bhp(pressure_local, pressure, v_matrix);
+        q.into_pyarray(py)
+    }
+
+    #[pyfn(m)]
+    #[pyo3(name = "calc_A_ij")]
+    fn calc_a_ij_py(
+        _py: Python<'_>,
+        x_i: f64,
+        y_i: f64,
+        x_j: f64,
+        y_j: f64,
+        y_d: f64,
+        m: PyReadonlyArray1<'_, u64>,
+    ) -> f64 {
+        let m = m.as_array();
+        calc_a_ij(x_i, y_i, x_j, y_j, y_d, m)
+    }
+
+    Ok(())
+}
diff --git a/tox.ini b/tox.ini
deleted file mode 100644
index 671e241..0000000
--- a/tox.ini
+++ /dev/null
@@ -1,22 +0,0 @@
-[tox]
-isolated_build = True
-skip_missing_interpreters = True
-envlist = linter,py38,py39,py310
-
-[gh-actions]
-python =
-    3.8: py38
-    3.9: py39
-    3.10: py310
-
-[gh-actions:env]
-PLATFORM =
-    ubuntu-latest: linux
-    macos-latest: macos
-    windows-latest: windows
-
-[testenv]
-whitelist_externals = poetry
-commands =
-    poetry install
-    poetry run pytest --cov=pywaterflood --cov-append --cov-report=xml


Test patch:
diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml
index 777bbc8..d7717c4 100644
--- a/.github/workflows/tests.yml
+++ b/.github/workflows/tests.yml
@@ -9,21 +9,17 @@ on:
   workflow_dispatch:
 
 jobs:
-  linting:
-    name: Linting
+  lint:
+    name: Lint
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2.3.4
-
+      - uses: actions/checkout@v3
       - name: Set up Python 3.9
-        uses: actions/setup-python@v2.2.2
+        uses: actions/setup-python@v4
         with:
           python-version: 3.9
-
-      - name: Linting
-        run: |
-          pip install pre-commit
-          pre-commit run --all-files
+      - name: Lint with pre-commit
+        run: pipx run pre-commit run --all-files
 
   tests:
     name: ${{ matrix.os }} / ${{ matrix.python-version }}
@@ -31,22 +27,17 @@ jobs:
     strategy:
       matrix:
         os: [Ubuntu, MacOS, windows]
-        python-version: [3.8, 3.9, "3.10"]
+        python-version: [3.7, "3.11"]
       fail-fast: false
     steps:
-      - uses: actions/checkout@v2.3.4
+      - uses: actions/checkout@v3
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v2.2.2
+        uses: actions/setup-python@v4
         with:
           python-version: ${{ matrix.python-version }}
-      - name: Install poetry
-        uses: abatilo/actions-poetry@v2.2.0
-        with:
-          version: 1.0.5
-      - name: Install dependencies
-        run: poetry install
-      - name: Test with tox
-        run: poetry run tox
+      - uses: dtolnay/rust-toolchain@stable
+      - name: Test with nox
+        run: pipx run nox -s tests
       - name: "Upload coverage to Codecov"
         uses: codecov/codecov-action@v3
         with:
diff --git a/testing/test_CRM.py b/testing/test_CRM.py
index 4e76971..973d004 100644
--- a/testing/test_CRM.py
+++ b/testing/test_CRM.py
@@ -8,7 +8,6 @@
 from pywaterflood.crm import (
     CRM,
     CrmCompensated,
-    _pressure_diff,
     q_bhp,
     q_CRM_perpair,
     q_CRM_perproducer,
@@ -106,8 +105,6 @@ def test_q_bhp_nonan(reservoir_simulation_data):
     _, nprod = production.shape
     pressure = production.copy()
     rng = np.random.default_rng(42)
-    pressure_diff = _pressure_diff(pressure[:, 0], pressure)
-    assert not np.isnan(pressure_diff).flatten().any(), "No NaNs among pressure_diff"
     producer_gains = rng.normal(0, 1, nprod)
     q = q_bhp(pressure[:, 0], pressure, producer_gains)
     assert not np.isnan(q).any(), "No NaNs among results"
diff --git a/testing/test_mpi.py b/testing/test_mpi.py
index 3143c04..9cb5464 100644
--- a/testing/test_mpi.py
+++ b/testing/test_mpi.py
@@ -3,6 +3,7 @@
 import numpy as np
 import pandas as pd
 import pytest
+from numpy.typing import NDArray
 
 from pywaterflood.multiwellproductivity import (
     calc_A_ij,
@@ -39,9 +40,13 @@ def test_translate(locations):
 
 def test_Aij():
     "From the worked example by Kaviani and Valkó"
-    m = 1 + np.arange(300)
+    m = 1 + np.arange(300, dtype="uint64")
     results = calc_A_ij(0.233351184, 0.36666667, 0.23333333, 0.36666667, 0.5, m)
     assert pytest.approx(10.6867, abs=0.01) == results
+    for x_i in [0.0, 0.2, 0.3, 0.5]:
+        old_A_ij = calc_A_ij_old(x_i, 0.36666667, 0.23333333, 0.36666667, 0.5, m)
+        rust_A_ij = calc_A_ij(x_i, 0.36666667, 0.23333333, 0.36666667, 0.5, m)
+        assert pytest.approx(old_A_ij, 1e-3) == rust_A_ij
 
 
 def test_calc_gains(locations):
@@ -61,3 +66,55 @@ def test_influence_matrix(locations):
 
     matrix_prod = calc_influence_matrix(locations, y_D=0.7, matrix_type="prod", m_max=100)
     assert not np.isnan(matrix_prod.values).flatten().any()
+
+
+def calc_A_ij_old(x_i: float, y_i: float, x_j: float, y_j: float, y_D: float, m: NDArray) -> float:
+    r"""Calculate element in the influence matrix.
+
+    .. math::
+
+        A_{ij} = 2 \pi y_D (\frac13 - \frac{y_i}{y_D} +
+            \frac{y_i^2 + y_j^2}{2 y_D^2})
+            + \sum_{m=1}^\infty \frac{t_m}m \cos(m\pi \tilde x_i)
+            \cos(m \pi \tilde x_j)
+    where
+
+    .. math::
+        t_m = \frac{\cosh\left(m\pi (y_D - |\tilde y_i - \tilde y_j|)\right)
+        + \cosh\left(m\pi (y_D - \tilde y_i - \tilde y_j\right)}
+        {\sinh\left(m\pi y_D \right)}
+
+    Args
+    ----
+    x_i : float
+        x-location of i'th well
+    y_i : float
+        y-location of i'th well
+    x_j : float
+        x-location of j'th well
+    y_j : float
+        y-location of j'th well
+    y_D : float
+        dimensionless parameter for y-direction
+    m : ndarray
+        series terms, from 1 to m_max
+
+    Returns
+    -------
+    A_ij : float
+    """
+    first_term = 2 * np.pi * y_D * (1 / 3.0 - y_i / y_D + (y_i**2 + y_j**2) / (2 * y_D**2))
+
+    tm = (
+        np.cosh(m * np.pi * (y_D - np.abs(y_i - y_j))) + np.cosh(m * np.pi * (y_D - y_i - y_j))
+    ) / np.sinh(m * np.pi * y_D)
+
+    S1 = 2 * np.sum(tm / m * np.cos(m * np.pi * x_i) * np.cos(m * np.pi * x_j))
+    tN = tm[-1]
+    S2 = -tN / 2 * np.log(
+        (1 - np.cos(np.pi * (x_i + x_j))) ** 2 + np.sin(np.pi * (x_i + x_j)) ** 2
+    ) - tN / 2 * np.log((1 - np.cos(np.pi * (x_i - x_j))) ** 2 + np.sin(np.pi * (x_i - x_j)) ** 2)
+    S3 = -2 * tN * np.sum(1 / m * np.cos(m * np.pi * x_i) * np.cos(m * np.pi * x_j))
+    summed_term = S1 + S2 + S3
+
+    return first_term + summed_term