updated doc and removed some unnecessary commands

- everythying uses `pip install .` now
- take out some not-anymore-needed conda specific installation commands
- take out PYTHONPATH fiddling

.github/workflows/quemb_unittest.yml

@@ -112,7 +112,6 @@ jobs:
         wget https://raw.githubusercontent.com/pyscf/dmrgscf/master/pyscf/dmrgscf/settings.py.example
         mv settings.py.example ${PYSCFHOME}/pyscf/dmrgscf/settings.py
         pip install .
-        echo ${{ github.workspace }} > $(python -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")/quemb.pth
 
 
     - name: Test with pytest

README.md

@@ -29,31 +29,28 @@ processors.
 - PySCF library
 - Numpy
 - Scipy
-- libDMET (required for periodic BE)
-- [Wannier90](https://github.com/wannier-developers/wannier90)<sup>&&</sup> (to use Wannier functions)
-
-<sup>&&</sup>Wannier90 code is interfaced via [libDMET](https://github.com/gkclab/libdmet_preview) in QuEmb</sub>
-
-### Steps
-
-1. Clone the repository:
-   ```bash
-   git clone https://github.com/oimeitei/quemb.git
-   cd quemb
-
-2. Install QuEmb using one of the following approaches:
-    ```bash
-    pip install .
-    ```
-    or simply add `path/to/quemd` to `PYTHONPATH`
-    ```bash
-    export PYTHONPATH=/path/to/quemb:$PYTHONPATH
-    ```
-
-    For conda (or virtual environment) installations, after creating your environment, specify the path to mol-be source as a path file, as in:
-    ```bash
-    echo path/to/quemb > $(python -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")/quemb.pth
-    ```
+- [libDMET](https://github.com/gkclab/libdmet_preview) (required for periodic BE)
+- [Wannier90](https://github.com/wannier-developers/wannier90)<sup>##</sup> (to use Wannier functions)
+
+<sup>##</sup> `Wannier90` code is optional and only necessary to use Wannier functions in periodic code. </sub>
+
+The required dependencies, with the exception of the optional `Wannier90`,
+are automatically installed by `pip`.
+
+### Installation
+
+One can just `pip install` directly from the Github repository:
+```bash
+pip install git+https://https://github.com/troyvvgroup/quemb
+```
+
+Alternatively one can manually clone and install as in:
+```bash
+git clone https://https://github.com/troyvvgroup/quemb
+cd quemb
+pip install .
+```
+
 
 
 ## Basic Usage

docs/source/index.rst

@@ -36,3 +36,8 @@ References
    optimize
    solvers
    misc
+
+
+
+.. role:: bash(code)
+   :language: bash

docs/source/install.rst

@@ -4,39 +4,34 @@ Installation
 Prerequisites
 -------------
 
- * Python 3.6 or higher
+ * Python >=10 or higher
  * PySCF library
  * Numpy
  * Scipy
- * libDMET :sup:`##` (required for periodic BE)
- * `Wannier90 <https://github.com/wannier-developers/wannier90>`_ :sup:`&&` (to use Wannier functions)
+ * `libDMET <https://github.com/gkclab/libdmet_preview>`__ (required for periodic BE)
+ * `Wannier90 <https://github.com/wannier-developers/wannier90>`_ :sup:`##`
 
-| :sup:`##` The modified version of `libDMET <https://github.com/gkclab/libdmet_preview>`_ available at `here <https://github.com/oimeitei/libdmet_preview>`_ is recommended to run periodic BE using QuEmb.
-| :sup:`&&` Wannier90 code is interfaced via `libDMET <https://github.com/gkclab/libdmet_preview>`_ in QuEmb
+| :sup:`##` Wannier90 code is optional and only necessary to use Wannier functions in periodic code.
 
+The required dependencies, with the exception of the optional :code:`Wannier90`,
+are automatically installed by :bash:`pip`.
 
-Obtain the source code
-----------------------
-Clone the Github repository::
 
-  git clone https://github.com/oimeitei/quemb.git
+Installation
+-------------
+
+One can just :bash:`pip install` directly from the Github repository
 
-pip install
------------
+.. code-block:: bash
 
-::
+  pip install git+https://https://github.com/troyvvgroup/quemb
 
-  pip install .
 
-Add to ``PYTHONPATH``
----------------------
-Simply add ``path/to/quemb`` to ``PYTHONPATH``
-::
 
-   export PYTHONPATH=/path/to/quemb:$PYTHONPATH
+Alternatively one can manually clone and install as in
 
-Conda or virtual environment
-----------------------------
-For conda (or virtual environment) installations, after creating your environment, specify the path to mol-be source as a path file, as in::
+.. code-block:: bash
 
-  echo path/to/quemb > $(python -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")/quemb.pth
+  git clone https://https://github.com/troyvvgroup/quemb
+  cd quemb
+  pip install .