Merge branch 'main' of github.com:neudinger/pyDockRMSD into main

Author: neudinger

README.md

@@ -39,18 +39,34 @@ $$ -->
 
 ## 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
 

condaenv/ci-cd.yml

@@ -1,3 +1,4 @@
+# Copyright (c) 2021 Barre kevin - All rights reserved.
 channels:
   - defaults
 dependencies:

condaenv/requirement.yml

@@ -1,3 +1,4 @@
+# Copyright (c) 2021 Barre kevin - All rights reserved.
 channels:
   - defaults
   - conda-forge
@@ -9,4 +10,3 @@ dependencies:
   - pip
   - pip:
       - pyarrow
-      - table

scripts/install.sh

@@ -1,3 +1,4 @@
+#!/usr/bin/env bash
 current_dir="$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd )"
 . "$current_dir/info.sh" && \
 # python -m build . && \
@@ -8,4 +9,4 @@ pip install --force dist/pydockrmsd-${version}-cp38-cp38-linux_x86_64.whl && \
 printf "pydockrmsd " && \
 python -c "import pydockrmsd; print(pydockrmsd.__version__, end='');" && \
 echo " correctly installed";
-# rm -r build/
+# rm -r build/