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Note that this specific command may change in time.
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Note that this specific command may change in time.
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Together with these mandatory requirements (otherwise, the code will not compile correctly or raise an exception at the startup), we
@@ -90,7 +90,7 @@ If these packages are available, they will enable the automatic cluster/local ca
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To install all the python dependencies (and recommended) automatically, you may just run:
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.. code-block:: console
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pip install -r requirements.txt
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@@ -102,8 +102,8 @@ Installation from pip
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The easiest way to install python-sscha (and CellConstructor) is through the python package manager:
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.. code-block:: console
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pip install python-sscha
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pip install python-sscha
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@@ -116,25 +116,40 @@ Installation from source
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------------------------
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Once all the dependences of the codes are satisfied, you can unzip the source code downloaded from the website.
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Then run, inside the directory that contains the setup.py script, the following command:
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Then run, inside the directory that contains the meson.build script, the following command:
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.. code-block:: console
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python setup.py install
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pip install .
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As for the pip installation, you may append the --user option to install the package only for the user (without requiring administrator powers).
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An "editable" install is highly recommended for developers. It allows you to modify the source code and have the changes reflected immediately without needing to reinstall.
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.. code-block:: console
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pip install -e .
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Install with Intel FORTRAN compiler
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-----------------------------------
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The setup.py script works automatically with the GNU FORTRAN compiler. However, due to some differences in linking lapack,
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to use the intel compiler you need to edit a bit the setup.py script:
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Meson works automatically with the GNU FORTRAN compiler. However, due to some differences in linking lapack,
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to use the intel compiler you need to:
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Ensure MKL is installed in your Conda environment:
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.. code-block:: console
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In this case, you need to delete the lapack linking from the
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setup.py and include the -mkl as linker option.
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Note that you must force to use the same liker compiler as the one used for the compilation.
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conda install mkl mkl-devel
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You can pass Meson options through pip's \--config-settings flag.
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