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Install pAPRika | ||
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We recommend installing pAPRika in a fresh `conda` environment if possible. There are three ways to install this package: | ||
We recommend installing pAPRika in a fresh ``conda`` environment if possible. There are three ways to install this package: | ||
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1. The latest release on `conda-forge`: | ||
a. `conda install -c conda-forge paprika` | ||
1. The latest release on ``conda-forge``: | ||
a. ``conda install -c conda-forge paprika`` | ||
b. To use all features of pAPRika, you must either have [AmberTools](http://ambermd.org/AmberTools.php) in your `$PATH` or separately install AmberTools with `conda install -c http://ambermd.org/downloads/ambertools/conda/ ambertools=18`. | ||
c. To use OpenMM features: `conda install -c omnia openmm`. | ||
c. To use OpenMM features: ``conda install -c omnia openmm``. | ||
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2. The master branch on GitHub: | ||
a. Clone this `git` repository, then inside the `paprika` directory: | ||
b. Change the `name` field in `devtools/conda-envs/test_env.yaml` to be `paprika`. | ||
c. Create the environment: `conda env create -f devtools/conda-envs/test_env.yaml`. | ||
d. Activate the environment: `conda activate paprika` | ||
e. Install `paprika` in the environment: `pip install .` | ||
a. Clone this ``git`` repository, then inside the ``paprika`` directory: | ||
b. Change the ``name`` field in ``devtools/conda-envs/test_env.yaml`` to be ``paprika``. | ||
c. Create the environment: ``conda env create -f devtools/conda-envs/test_env.yaml``. | ||
d. Activate the environment: ``conda activate paprika`` | ||
e. Install ``paprika`` in the environment: ``pip install .`` | ||
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3. The latest release on GitHub: | ||
a. Download [the latest release](https://github.com/slochower/pAPRika/releases), extract it, and change to the `paprika` directory: | ||
b. Change the `name` field in `devtools/conda-envs/test_env.yaml` to be `paprika`. | ||
c. Create the environment: `conda env create -f devtools/conda-envs/test_env.yaml`. | ||
d. Activate the environment: `conda activate paprika` | ||
e. Install `paprika` in the environment: `pip install .` | ||
a. Download [the latest release](https://github.com/slochower/pAPRika/releases), extract it, and change to the ``paprika`` directory: | ||
b. Change the ``name`` field in ``devtools/conda-envs/test_env.yaml`` to be ``paprika``. | ||
c. Create the environment: ``conda env create -f devtools/conda-envs/test_env.yaml``. | ||
d. Activate the environment: ``conda activate paprika`` | ||
e. Install ``paprika`` in the environment: ``pip install .`` |
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