Update conda availability (#170)

README.md

@@ -62,7 +62,7 @@ With *dxtb*, we provide a re-implementation of the xTB methods in PyTorch, which
 
 ## Installation
 
-### pip <a href="https://pypi.org/project/dxtb/"><img src="https://img.shields.io/pypi/v/dxtb" alt="PyPI Version"></a>
+### pip <a href="https://pypi.org/project/dxtb/"><img src="https://img.shields.io/pypi/v/dxtb" alt="PyPI Version"></a> <a href="https://pypi.org/project/dxtb/"><img src="https://img.shields.io/pypi/dm/dxtb?color=orange" alt="PyPI Downloads"></a>
 
 *dxtb* can easily be installed with ``pip``.
 
@@ -71,18 +71,21 @@ pip install dxtb[libcint]
 ```
 
 Installing the libcint interface is highly recommended, as it is significantly faster than the pure PyTorch implementation and provides access to higher-order multipole integrals and their derivatives.
+However, the interface is currently only available on Linux.
 
-### conda <a href="https://anaconda.org/conda-forge/dxtb"><img src="https://img.shields.io/conda/vn/conda-forge/dxtb.svg" alt="Conda Version"></a>
+### conda <a href="https://anaconda.org/conda-forge/dxtb"><img src="https://img.shields.io/conda/vn/conda-forge/dxtb.svg" alt="Conda Version"></a> <a href="https://anaconda.org/conda-forge/dxtb"><img src="https://img.shields.io/conda/dn/conda-forge/dxtb?style=flat&color=orange" alt="Conda Downloads"></a>
 
 
-*dxtb* will also be available on [conda](https://conda.io/) soon.
+*dxtb* is also available on [``conda``](https://conda.io/) from the *conda-forge* channel.
 
 ```sh
-conda install dxtb
+mamba install dxtb
 ```
 
 Don't forget to install the libcint interface (not on conda) via ``pip install tad-libcint``.
 
+For Windows, *dxtb* is not available via conda, because PyTorch itself is not registered in the conda-forge channel.
+
 ### Other
 
 For more options, see the [installation guide](https://dxtb.readthedocs.io/en/latest/01_quickstart/installation.html) in the documentation.

docs/source/01_quickstart/installation.rst

@@ -10,15 +10,18 @@ pip
     :target: https://pypi.org/project/dxtb/
     :alt: PyPI Version
 
+.. image:: https://img.shields.io/pypi/dm/dxtb?color=orange
+    :target: https://pypi.org/project/dxtb/
+    :alt: PyPI Downloads
+
 *dxtb* can easily be installed with ``pip``.
 
 .. code-block:: shell
 
-    pip install dxtb
+    pip install dxtb[libcint]
 
-Installing the libcint interface is highly recommended, as it is significantly
-faster than the pure PyTorch implementation and provides access to higher-order
-multipole integrals.
+Installing the libcint interface is highly recommended, as it is significantly faster than the pure PyTorch implementation and provides access to higher-order multipole integrals and their derivatives.
+However, the interface is currently only available on Linux.
 
 
 conda
@@ -28,7 +31,11 @@ conda
    :target: https://anaconda.org/conda-forge/dxtb
    :alt: Conda Version
 
-*dxtb* is also available on `conda <https://conda.io/>`__.
+.. image:: https://img.shields.io/conda/dn/conda-forge/dxtb?style=flat&color=orange
+   :target: https://anaconda.org/conda-forge/dxtb
+   :alt: Conda Downloads
+
+*dxtb* is also available on `conda <https://conda.io/>`__ from the *conda-forge* channel.
 
 .. code-block:: shell
 
@@ -37,6 +44,8 @@ conda
 
 Don't forget to install the libcint interface (not on conda) via ``pip install tad-libcint``.
 
+For Windows, *dxtb* is not available via conda, because PyTorch itself is not registered in the conda-forge channel.
+
 
 From source
 -----------

setup.cfg

@@ -9,9 +9,13 @@ author = "Sebastian Ehlert, Marvin Friede, Christian Hölzer"
 license = Apache-2.0
 license_files = LICENSE
 classifiers =
+    Intended Audience :: Developers
     Intended Audience :: Science/Research
     License :: OSI Approved :: Apache Software License
     Natural Language :: English
+    Operating System :: MacOS
+    Operating System :: Microsoft :: Windows
+    Operating System :: POSIX
     Operating System :: POSIX :: Linux
     Programming Language :: Python :: 3
     Programming Language :: Python :: 3 :: Only