qupled 1.3.0__tar.gz → 1.3.1__tar.gz

{qupled-1.3.0 → qupled-1.3.1}/.github/workflows/release.yml

@@ -37,7 +37,7 @@ jobs:
 
     strategy:
       matrix:
-        arch: [x86_64] # add also aarch64
+        arch: [x86_64, aarch64]
 
     steps:
       - name: Checkout source code
@@ -93,11 +93,11 @@ jobs:
           name: wheels-x86_64
           path: temp-wheels-x86_64
 
-      # - name: Download wheels (aarch64)
-      #   uses: actions/download-artifact@v4
-      #   with:
-      #     name: wheels-aarch64
-      #     path: temp-wheels-aarch64
+      - name: Download wheels (aarch64)
+        uses: actions/download-artifact@v4
+        with:
+          name: wheels-aarch64
+          path: temp-wheels-aarch64
 
       - name: Move all files to dist/
         run: |

{qupled-1.3.0 → qupled-1.3.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: qupled
-Version: 1.3.0
+Version: 1.3.1
 Summary: qupled: a package to investigate quantum plasmas via the dielectric formalism
 Author-email: Federico Lucco Castello <federico.luccocastello@gmail.com>
 License-Expression: GPL-3.0-or-later

{qupled-1.3.0 → qupled-1.3.1}/docs/introduction.rst

@@ -34,57 +34,83 @@ All the calculations are performed in normalized units. The wave vectors are nor
 Fermi wave-vector and the frequencies are normalized to :math:`2\pi E_{\mathrm{f}}/h`. Here :math:`E_{\mathrm{f}}`
 is the Fermi energy and :math:`h` is Planck's constant.
 
-Installing qupled
------------------
+Installation
+------------
+
+Install with pip
+~~~~~~~~~~~~~~~~
+
+Qupled can be installed as a pip package by running
+
+.. code-block:: console
+
+   pip install qupled
+		
+This will also install all the python packages that are necessary for running the package. 
+
+Install with MPI support
+~~~~~~~~~~~~~~~~~~~~~~~~
+
+If you need to use qupled with MPI support, install the  :ref:`external_dependencies` and install the
+source distribution with the following command:
+
+.. code-block:: console
+
+   pip install --no-binary=:all: qupled
+
+
+Install from source
+~~~~~~~~~~~~~~~~~~~
+
+If you want full control over your qupled installation, you can install it also directly from the source.
+Install the :ref:`external_dependencies` first, then clone the repository and run the following commands:
+
+.. code-block:: console
+
+   git clone https://github.com/fedluc/qupled.git
+   cd qupled
+   ./devtool install-deps
+   ./devtool build
+   ./devtool test
+   ./devtool install
 
 .. _external_dependencies:
 
 External dependencies
 ~~~~~~~~~~~~~~~~~~~~~
 
-The installation of qupled may require compiling some C++ code, depending on the platform and installation method.
-Therefore, ensure the following dependencies are met before attempting to install or run qupled:
+Installing qupled may require compiling some C++ code, depending on the platform and installation method.
+The following dependencies must be met before attempting to build the C++ part of qupled:
 
-  - `Boost <https://www.boost.org/doc/libs/1_80_0/libs/python/doc/html/index.html>`_
   - `CMake <https://cmake.org/download/>`_
   - `fmt <https://github.com/fmtlib/fmt>`_
   - `GNU Scientific Library <https://www.gnu.org/software/gsl/>`_
   - `OpenMP <https://en.wikipedia.org/wiki/OpenMP>`_
   - `Open-MPI <https://www.open-mpi.org/software/ompi/v5.0/>`_
 
-For linux distributions all these dependencies can be installed with
+**Ubuntu or Debian-based systems**
 
 .. code-block:: console
 
    sudo apt-get install -y cmake libopenmpi-dev libgsl-dev libomp-dev python3-dev libsqlite3-dev libsqlitecpp-dev
 
-For macOS they can be installed directly from homebrew
+**Fedora or Red Hat-based system**
 
 .. code-block:: console
 
-   brew install cmake gsl libomp openmpi sqlite sqlitecpp
+   sudo dnf install -y cmake openmpi openmpi-devel gsl-devel sqlite-devel
+   cd /tmp
+   git clone https://github.com/SRombauts/SQLiteCpp.git
+   cd SQLiteCpp
+   mkdir build && cd build 
+   cmake ..
+   make -j$(nproc)
+   make install
+   ldconfig
+   cd / && rm -rf /tmp/SQLiteCpp
 
-Install with pip
-~~~~~~~~~~~~~~~~
-
-Qupled can be installed as a pip package by running
+**macOS**
 
 .. code-block:: console
 
-   pip install qupled
-		
-This will also install all the python packages that are necessary for running the package.
-
-Install from source
-~~~~~~~~~~~~~~~~~~~
-
-Qupled and all its dependencies can also be installed from source by running
-
-.. code-block:: console
-
-   git clone https://github.com/fedluc/qupled.git
-   cd qupled
-   ./devtool install-deps
-   ./devtool build
-   ./devtool test
-   ./devtool install
+   brew install cmake gsl libomp openmpi sqlite sqlitecpp

{qupled-1.3.0 → qupled-1.3.1}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "qupled"
-version = "v1.3.0"
+version = "v1.3.1"
 description = "qupled: a package to investigate quantum plasmas via the dielectric formalism"
 readme = "README.md"
 requires-python = ">=3.10, <3.14"

{qupled-1.3.0 → qupled-1.3.1}/src/qupled.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: qupled
-Version: 1.3.0
+Version: 1.3.1
 Summary: qupled: a package to investigate quantum plasmas via the dielectric formalism
 Author-email: Federico Lucco Castello <federico.luccocastello@gmail.com>
 License-Expression: GPL-3.0-or-later