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add pip installation instructions (PyPi)
- explain package name is alchemistry-flamel - installation - uninstallation
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@@ -13,13 +13,36 @@ of the now unsupported [alchemical-analysis](https://github.com/MobleyLab/alchem | |
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## Installation | ||
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Clone flamel and install | ||
The package containing `flamel` is called **alchemistry-flamel**. The | ||
latest release can be installed with `pip` or alternatively, install | ||
from source. Both methods are explained below. | ||
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### `pip` | ||
*flamel* is available from the Python Package index (PyPi) under the | ||
name **alchemistry-flamel** and can be installed with | ||
```shell | ||
pip install alchemistry-flamel | ||
``` | ||
The installed package makes the `flamel` script available. | ||
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### From sources | ||
Clone the *flamel* repository https://github.com/alchemistry/flamel | ||
and install with `pip` | ||
```shell | ||
git clone [email protected]:alchemistry/flamel.git | ||
cd flamel | ||
pip install . | ||
pip install flamel/ | ||
``` | ||
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### Uninstalling | ||
If you want to remove *flamel* after having it installed with `pip`, | ||
run | ||
```shell | ||
pip uninstall alchemistry-flamel | ||
``` | ||
to delete `flamel` and its associated files. | ||
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## Usage | ||
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The analysis can be invoked with the following command | ||
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