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update readme to point to pip install instead of source (#139)
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* update readme to point to pip install instead of source

* Update README.md

updated the readme some more with the help of the github interface

* Apply suggestions from code review

Co-authored-by: Marten Chaillet <[email protected]>

---------

Co-authored-by: Marten Chaillet <[email protected]>
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sroet and McHaillet authored Mar 1, 2024
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Showing 1 changed file with 32 additions and 13 deletions.
45 changes: 32 additions & 13 deletions README.md
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Expand Up @@ -35,33 +35,28 @@ Once the environment is created, activate it:
conda activate pytom_tm
```

Then clone the repository and install it with pip (building cupy can take a while!):
Then install the code with `pip` (building cupy can take a while!):

```commandline
git clone https://github.com/SBC-Utrecht/pytom-match-pick.git
cd pytom-match-pick
python -m pip install '.[plotting]'
python -m pip install pytom-match-pick[plotting]
```

The installation above also adds the optional dependencies `[matplotlib, seaborn]` which are required to run
`pytom_estimate_roc.py`. They are not essential to the core template matching functionality, so for some systems
(such as certain cluster environments) it might be desirable to skip them. In that case remove `[plotting]` from the pip install command:

```commandline
python -m pip install .
python -m pip install pytom-match-pick
```

## Tests

To run the unittests:

## Cupy warning
Having issues running the software? If cupy is not correctly installed,
```commandline
cd tests
python -m unittest discover
python -c "import pytom_tm"
```

If cupy is not correctly installed, this should raise some errors:

can show a cupy warning. If this is the case, this probably means cupy is not correctly installed.
Alternatively, cupy can sometimes be installed without issue but not detect CUDA correctly. In that case, the following should raise some errors:
```commandline
python -c "import cupy as cp; a = cp.zeros((100,100))"
```
Expand All @@ -85,6 +80,30 @@ The following scripts are available to run with `--help` to see parameters:
- estimate an ROC curve from a job file (.json): `pytom_estimate_roc.py --help`
- merge multiple star files to a single starfile: `pytom_merge_stars.py --help`

## Developer install
If you want the most up-to-date version of the code you can get install it from this repository via:

```commandline
git clone https://github.com/SBC-Utrecht/pytom-match-pick.git
cd pytom-match-pick
python -m pip install '.[plotting]'
```

as above, if you don't want the optional plotting dependencies use the following install command instead:
```commandline
python -m pip install .
```

## Tests

With the developer install also comes the ability to run the unittests,
from the git repository run:

```commandline
cd tests
python -m unittest discover
```

## Contributing

Contributions to the project are very welcome! Feel free to make a pull request or suggest an implementation in the issues. For PR's we will gladly give you feedback on how to integrate the code.
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