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fix install by pip
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th2ch-g committed Apr 9, 2024
1 parent 4ea9329 commit a141e55
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4 changes: 2 additions & 2 deletions README.md
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Expand Up @@ -21,7 +21,7 @@ We believe our package will benefit your research.

~~~shell
# Install all feautres of PaCS-ToolKit
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[all]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[all]"
~~~

see [document](https://kitaolab.github.io/PaCS-Toolkit/) for more information.
Expand All @@ -36,7 +36,7 @@ conda create -n pacs "python>=3.7" -y
conda activate pacs

# Install all features of PaCS-ToolKit
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[all]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[all]"
~~~

see [document](https://kitaolab.github.io/PaCS-Toolkit/) for more information.
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12 changes: 6 additions & 6 deletions docs/src/install.md
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Expand Up @@ -26,13 +26,13 @@ conda activate pacsmd

- if using whole pacstk function
~~~shell
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[all]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[all]"
pip install pyemma
~~~

- elif using "pacs mdrun" and analyzer == "mdtraj"
~~~shell
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[mdtraj]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[mdtraj]"
~~~

- elif using "pacs mdrun" and analyzer == "gromacs"
Expand All @@ -42,19 +42,19 @@ pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git"

- elif performing MSM
~~~shell
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[msm]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[msm]"
pip install pyemma
~~~

### 1.2. Install by pip
- if using whole pacstk function
~~~shell
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[all]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[all]"
~~~

- elif using "pacs mdrun" and analyzer == "mdtraj"
~~~shell
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[mdtraj]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[mdtraj]"
~~~

- elif using "pacs mdrun" and analyzer == "gromacs"
Expand All @@ -64,7 +64,7 @@ pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git"

- elif performing MSM
~~~shell
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#[msm]"
pip install "git+https://github.com/Kitaolab/PaCS-Toolkit.git#egg=pacs[msm]"
pip install pyemma
~~~

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