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Use environment.yml, update install instructions
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bede committed Nov 16, 2023
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66 changes: 51 additions & 15 deletions README.md
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Expand Up @@ -11,29 +11,65 @@ Vespasian performs genome scale detection of site and branch-site signatures of

## Installation

### With `conda` & `pip`
### Installing Miniconda

I currently recommend creating a conda environment with `paml` and `datrie`, and letting pip do the rest. PAML output changes subtly between versions, and I have tested against MacOS builds `h01d97ff_5`, `hb4d813b_6` and Linux builds `h516909a_5`, `h779adbc_6` from [bioconda](https://anaconda.org/bioconda/paml/files).
If the conda package manager is already installed, skip this step, otherwise:

```bash
conda create -n vespasian python=3 paml datrie
conda activate vespasian
pip install vespasian
```
**Linux**

- Install Miniconda, following instructions and accepting default options:

```bash
curl -O https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
bash Miniconda3-latest-Linux-x86_64.sh
```

**MacOS**

- If your Mac has an Intel processor, skip this step. Otherwise, run:

```bash
arch -x86_64 zsh
```

- Install Miniconda, following instructions and accepting default options:

```bash
curl -O https://repo.anaconda.com/miniconda/Miniconda3-latest-MacOSX-x86_64.sh
bash Miniconda3-latest-MacOSX-x86_64.sh
```



### Installing Vespasian

- If your Mac has an Intel processor, skip this step. Otherwise, using Terminal, run:

```bash
arch -x86_64 zsh
```

- Install Vespasian:
```bash
curl -OJ https://raw.githubusercontent.com/bede/vespasian/master/environment.yml
conda env create -f environment.yml
conda activate vespasian
```

- Test Vespasian:
```bash
vespasian version
```

### Without `conda`

```bash
# Install PAML manually
pip install vespasian
```

### Development
### Development install

```bash
conda create -n vespasian python=3 paml && conda activate vespasian
conda create -y -n vespasian-dev python=3.11 pytest -c conda-forge -c bioconda paml=4.10.6
conda activate vespasian-dev
git clone https://github.com/bede/vespasian
pip install --editable vespasian
pip install --editable ./vespasian
```


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11 changes: 11 additions & 0 deletions environment.yml
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name: vespasian
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- python=3.11
- pip
- paml=4.10.6
- pip:
- vespasian

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