Skip to content
Snippets Groups Projects
Commit a99b30b6 authored by Hollweger, Simon Benjamin's avatar Hollweger, Simon Benjamin
Browse files

(SH) updated README.md, removed the submodules instructions

parent 60313c37
No related branches found
No related tags found
No related merge requests found
...@@ -8,10 +8,11 @@ A tool for efficient structure search on surfaces. For details see https://www.s ...@@ -8,10 +8,11 @@ A tool for efficient structure search on surfaces. For details see https://www.s
### 1. Cloning ### 1. Cloning
You can clone this repository by using You can clone this repository by using
``` ```
git clone git@gitlab.tugraz.at:structuresearch/sample.git --recurse-submodules git clone git@gitlab.tugraz.at:othgroup/sample.git
git clone git@gitlab.tugraz.at:othgroup/tools.git
``` ```
in the command line. in the command line. This clones the SAMPLE code base and the tools library (AIMSTools, VASPTools, QETools).
This clones the SAMPLE code base together with the tools library (AIMSTools, VASPTools, QETools). You need to setup SSH keys in your gitlab settings to succesfully clone the repositories.
### 2. Build C libraries ### 2. Build C libraries
Next step is to build the CWrapper library of SAMPLE and AIMSTools. For that you need to execute the Next step is to build the CWrapper library of SAMPLE and AIMSTools. For that you need to execute the
...@@ -19,19 +20,18 @@ script in ``build.sh`` in ``sample/C`` and in ``tools/AIMSTools/C``. ...@@ -19,19 +20,18 @@ script in ``build.sh`` in ``sample/C`` and in ``tools/AIMSTools/C``.
If successful you should find a ``libCUtil.so`` file in the ``Release`` folder. If successful you should find a ``libCUtil.so`` file in the ``Release`` folder.
### 3. Set PYTHONPATH ### 3. Set PYTHONPATH
Now one need to add ``sample``, ``sample/tools``, ``sample/tools/AIMSTools``, ``sample/tools/VASPTools`` and ``sample/tools/QETools`` Now one need to add ``sample`` and the ``tools`` library to the PYTHONPATH so that all import statements in the
to the PYTHONPATH so that all import statements in the ``sample`` package are working. You can add these lines to ``sample`` package are working. You can add these lines to your .bashrc file
your .bashrc file
``` ```
export PYTHONPATH=${PYTHONPATH}:<sample-repo-directory> export PYTHONPATH=${PYTHONPATH}:<sample-repo-directory>
export PYTHONPATH=${PYTHONPATH}:<sample-repo-directory>/tools export PYTHONPATH=${PYTHONPATH}:<tools-repo-directory>
export PYTHONPATH=${PYTHONPATH}:<sample-repo-directory>/tools/AIMSTools export PYTHONPATH=${PYTHONPATH}:<tools-repo-directory>/AIMSTools
export PYTHONPATH=${PYTHONPATH}:<sample-repo-directory>/tools/VASPTools export PYTHONPATH=${PYTHONPATH}:<tools-repo-directory>/VASPTools
export PYTHONPATH=${PYTHONPATH}:<sample-repo-directory>/tools/QETools export PYTHONPATH=${PYTHONPATH}:<tools-repo-directory>/QETools
``` ```
You need to exchange ``<sample-repo-directory>`` with the path to your sample repository You need to exchange ``<sample-repo-directory>`` and ``<tool-repo-directory>`` with the path to your sample repository
### 5. install required python packages ### 4. install required python packages
sample needs several external python packages which can be easily installed via ``pip``. Just run the following install sample needs several external python packages which can be easily installed via ``pip``. Just run the following install
command at the root folder of the sample repository. command at the root folder of the sample repository.
``` ```
...@@ -42,20 +42,7 @@ For anaconda one can use ...@@ -42,20 +42,7 @@ For anaconda one can use
conda install --file requirements.txt conda install --file requirements.txt
``` ```
### 4. Configure git submodules [OPTIONAL] ### 5. Run unittests
This step is optional.
The tools library in sample is its own git repository and does not automatically update if a `git pull`` command is
executed inside the sample git repository.
To automatically get updates for the tools library one need to configure the git repository with
```
git config --local submodule.recurse true
git config --local fetch.recurseSubmodules on-demand
```
Now the tools git submodule is updated with every ``git pull`` command.
If you do not want this behavior you can skip this step and update the tools library manually.
### 6. Run unittests
To test if everything is set up correctly run the unittests inside the tests folder in the sample repo and in the To test if everything is set up correctly run the unittests inside the tests folder in the sample repo and in the
tools library. tools library.
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment