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add conda support
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‎CONDA_PUBLISHING.md‎

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# Publishing NeqSim to Conda-Forge
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This guide explains how to publish NeqSim to conda-forge for easy installation via Anaconda.
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## Option 1: Submit to conda-forge (Recommended)
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### Step 1: Ensure PyPI Package is Published
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The conda-forge recipe pulls from PyPI, so ensure the latest version is published:
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```bash
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poetry build
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poetry publish
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```
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### Step 2: Fork and Clone staged-recipes
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```bash
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git clone https://github.com/conda-forge/staged-recipes.git
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cd staged-recipes
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git checkout -b neqsim
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```
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### Step 3: Create the Recipe
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Copy the recipe from the `conda/` directory:
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```bash
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mkdir recipes/neqsim
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cp /path/to/neqsim-python/conda/meta.yaml recipes/neqsim/
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```
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### Step 4: Get the SHA256 Hash
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After publishing to PyPI, get the hash:
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```bash
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curl -sL https://pypi.io/packages/source/n/neqsim/neqsim-3.1.5.tar.gz | sha256sum
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```
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Update `meta.yaml` with the hash.
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### Step 5: Test Locally (Optional)
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```bash
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conda build recipes/neqsim
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```
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### Step 6: Submit Pull Request
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Push your branch and create a PR to conda-forge/staged-recipes:
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```bash
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git add recipes/neqsim
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git commit -m "Add neqsim recipe"
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git push origin neqsim
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```
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Then open a PR at https://github.com/conda-forge/staged-recipes
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### Step 7: Maintenance
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Once accepted, a feedstock repository will be created at:
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https://github.com/conda-forge/neqsim-feedstock
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For version updates, submit PRs to the feedstock.
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## Option 2: Personal Anaconda Channel
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For quick testing or private distribution:
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### Step 1: Create Anaconda Account
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Register at https://anaconda.org
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### Step 2: Build the Package
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```bash
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cd neqsim-python
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conda build conda/
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```
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### Step 3: Upload to Anaconda
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```bash
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anaconda login
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anaconda upload /path/to/conda-bld/noarch/neqsim-*.tar.bz2
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```
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### Step 4: Install from Your Channel
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```bash
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conda install -c YOUR_USERNAME neqsim
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```
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## Option 3: Using environment.yml (Immediate Solution)
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Users can install immediately using the provided environment file:
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```bash
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conda env create -f environment.yml
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conda activate neqsim-env
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```
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This installs all dependencies via conda (including Java) and neqsim via pip.
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## Key Benefits of Conda Distribution
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1. **Automatic Java Installation**: OpenJDK is installed as a conda dependency
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2. **Cross-platform**: Works on Windows, macOS, and Linux
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3. **Environment Management**: Easy to create isolated environments
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4. **Reproducibility**: Pin exact versions for reproducible builds
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## Testing the Installation
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```python
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import neqsim
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from neqsim.thermo import fluid
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# Create a simple fluid
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gas = fluid('srk')
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gas.addComponent('methane', 0.9)
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gas.addComponent('ethane', 0.1)
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gas.setTemperature(25.0, 'C')
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gas.setPressure(50.0, 'bara')
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# Run a flash calculation
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from neqsim.thermo import TPflash
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TPflash(gas)
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print(f"Density: {gas.getDensity('kg/m3'):.2f} kg/m³")
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```

‎README.md‎

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NeqSim Python is part of the [NeqSim project](https://equinor.github.io/neqsimhome/). NeqSim Python is a Python interface to the [NeqSim Java library](https://github.com/equinor/neqsim) for estimation of fluid behavior and process design for oil and gas production. NeqSim Python toolboxes (eg. [thermoTools](https://github.com/equinor/neqsim-python/blob/master/src/neqsim/thermo/thermoTools.py) and [processTools](https://github.com/equinor/neqsim-python/blob/master/src/neqsim/process/processTools.py)) are implemented to streamline use of neqsim in Python. Examples of use are given in the [examples folder](https://github.com/equinor/neqsim-python/tree/master/examples).
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## Releases
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## Installation
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NeqSim Python is distributed as a pip package. Please read the [Prerequisites](#prerequisites).
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NeqSim Python can be installed via **pip** or **conda**.
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End-users should install neqsim python with some additional packages by running
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### Using pip
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```
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```bash
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pip install neqsim
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```
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### Using Conda
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NeqSim is available on conda-forge. Install with:
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```bash
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conda install -c conda-forge neqsim
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```
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Or add conda-forge to your channels and install:
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```bash
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conda config --add channels conda-forge
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conda config --set channel_priority strict
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conda install neqsim
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```
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**Note:** The conda package automatically includes Java (OpenJDK) as a dependency, so no separate Java installation is required.
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### Prerequisites
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- Python 3.9 or higher
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- Java 11 or higher (automatically installed with conda, or install separately for pip)
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## Getting Started
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See the [NeqSim Python Wiki](https://github.com/equinor/neqsim-python/wiki) for how to use NeqSim Python via Python or in Jupyter notebooks. Also see [examples of use of NeqSim for Gas Processing in Colab](https://colab.research.google.com/github/EvenSol/NeqSim-Colab/blob/master/notebooks/examples_of_NeqSim_in_Colab.ipynb#scrollTo=kHt6u-utpvYf). Learn and ask questions in [Discussions for use and development of NeqSim](https://github.com/equinor/neqsim/discussions).

‎conda/bld.bat‎

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@echo off
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"%PYTHON%" -m pip install . -vv --no-deps --no-build-isolation
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if errorlevel 1 exit 1

‎conda/build.sh‎

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#!/bin/bash
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set -ex
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${PYTHON} -m pip install . -vv --no-deps --no-build-isolation

‎conda/conda_build_config.yaml‎

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# Conda build configuration for neqsim
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python:
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- "3.9"
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- "3.10"
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- "3.11"
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- "3.12"

‎conda/meta.yaml‎

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{% set name = "neqsim" %}
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{% set version = "3.1.5" %}
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package:
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name: {{ name|lower }}
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version: {{ version }}
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source:
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url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
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sha256: d97992e030c400291615ee84c06f4be5a783111ab6f69a4e9aeef880e1102321
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build:
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number: 0
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noarch: python
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script: {{ PYTHON }} -m pip install . -vv --no-deps --no-build-isolation
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requirements:
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host:
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- python >=3.9
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- pip
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- poetry-core
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run:
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- python >=3.9
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- jpype1 >=1.5.0
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- numpy >1.25.2
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- pandas >=2.0.3
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- openjdk >=11
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test:
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imports:
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- neqsim
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commands:
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- pip check
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requires:
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- pip
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about:
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home: https://github.com/Equinor/neqsim-python
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summary: NeqSim is a tool for thermodynamic and process calculations
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description: |
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NeqSim Python is a Python interface to the NeqSim Java library for
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estimation of fluid behavior and process design for oil and gas production.
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It provides toolboxes like thermoTools and processTools to streamline
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the use of NeqSim in Python.
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license: Apache-2.0
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license_family: Apache
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license_file: LICENSE
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doc_url: https://github.com/equinor/neqsim-python/wiki
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dev_url: https://github.com/Equinor/neqsim-python
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extra:
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recipe-maintainers:
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- EvenSol

‎environment.yml‎

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# NeqSim Conda Environment
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# Install with: conda env create -f environment.yml
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# Activate with: conda activate neqsim-env
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name: neqsim-env
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channels:
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- conda-forge
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- defaults
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dependencies:
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- python>=3.9
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- openjdk>=11
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- jpype1>=1.5.0
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- numpy>1.25.2
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- pandas>=2.0.3
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# Optional for interactive use
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- matplotlib>=3.7.0
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- jupyter>=1.0.0
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- tabulate>=0.9.0
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# Install neqsim from PyPI until conda-forge package is available
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- pip
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- pip:
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- neqsim

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