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dev[fix]: fix install.sh, remove unused dependencies
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neudinger committed Nov 22, 2021
1 parent 4291560 commit ed25119
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24 changes: 20 additions & 4 deletions README.md
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## Usage

Please use mamba for fast download and installation

```sh
conda install mamba -n base -c conda-forge
```

### Local Install

Linux only:
*NIX systems only:
Linux and MacOS

Remove all previous pydockrmsd installation

> If you have MacOS with apple silicon 'M' processor, please use manual installation.
> Github Action cannot handle apple silicon yet
```bash
pip uninstall pydockrmsd
```

```bash
conda env create --name pydockrmsd --file condaenv/requirement.yml
mamba env create --name pydockrmsd --file condaenv/requirement.yml
conda activate pydockrmsd
conda env update --name pydockrmsd --file condaenv/ci-cd.yml
mamba env update --name pydockrmsd --file condaenv/ci-cd.yml --prune
./scripts/install.sh
```

### Requirement
### Pypi install

Build Requirement

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1 change: 1 addition & 0 deletions condaenv/ci-cd.yml
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@@ -1,3 +1,4 @@
# Copyright (c) 2021 Barre kevin - All rights reserved.
channels:
- defaults
dependencies:
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3 changes: 1 addition & 2 deletions condaenv/requirement.yml
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@@ -1,4 +1,4 @@
# Copyright (c) 2020 Aqemia - All rights reserved.
# Copyright (c) 2021 Barre kevin - All rights reserved.
channels:
- defaults
- conda-forge
Expand All @@ -10,4 +10,3 @@ dependencies:
- pip
- pip:
- pyarrow
- table
9 changes: 4 additions & 5 deletions scripts/install.sh
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#!/usr/bin/env bash
current_dir="$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd )"
. "$current_dir/info.sh" && \
python -m build . && \
# python -m cibuildwheel --platform linux \
# pip install --force dist/pydockrmsd-${version}-py3-none-any.whl && \
pip install --force dist/pydockrmsd-${version}-cp38-cp38-linux_x86_64.whl && \
python setup.py bdist_wheel && \
pip install --force dist/pydockrmsd-${version}-*.whl && \
printf "pydockrmsd " && \
python -c "import pydockrmsd; print(pydockrmsd.__version__, end='');" && \
echo " correctly installed";
rm -r build/
cd examples && python3 crystal_example.py

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