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https://github.com/LCPQ/quantum_package
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Updated documentation
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@ -20,7 +20,6 @@
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make
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make
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6) Start a `tsocks` ssh tunnel::
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6) Start a `tsocks` ssh tunnel::
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ssh -fN -D 10000 user@external-server.com
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ssh -fN -D 10000 user@external-server.com
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@ -30,8 +29,8 @@
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export LD_PRELOAD="${PWD}/libtsocks.so.1.8"
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export LD_PRELOAD="${PWD}/libtsocks.so.1.8"
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8) Create a custom curl command to set the tsocks option: open a file named
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8) Create a custom curl command to set the tsocks option: open a file named
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``curl``, which is accessible from your ``PATH`` environment variable before the
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``curl``, which is accessible from your ``PATH`` environment variable before
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real ``curl`` command, and fill this file with::
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the real ``curl`` command, and fill this file with::
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#!/bin/bash
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#!/bin/bash
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/usr/bin/curl --socks5 127.0.0.1:10000 $@
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/usr/bin/curl --socks5 127.0.0.1:10000 $@
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@ -1,15 +1,12 @@
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Setup the environment::
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Setup the environment::
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make
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./setup_environment.sh
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This will automatically download and compile the requirements.
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This will automatically download and compile the requirements.
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By default, the Ocaml compiler will be installed in ``$HOME/ocamlbrew``. To install it somewhere else, set the ``$OCAMLBREW_BASE`` environment variable to the required destination, for example::
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By default, the Ocaml compiler will be installed in ``$HOME/.opam``.
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For more info about the Ocaml installation, check the Opam website :
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export OCAMLBREW_BASE=/usr/local/ocamlbrew
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https://opam.ocaml.org/doc/Install.html
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For more info about the Ocaml installation, check the ocamlbrew website : https://github.com/hcarty/ocamlbrew
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A configuration file named ``quantum_package.rc`` will be created.
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A configuration file named ``quantum_package.rc`` will be created.
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To finish the installation, source this file in your shell::
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To finish the installation, source this file in your shell::
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@ -22,11 +19,12 @@ If you use a C-shell, you will have to translate the ``.bashrc`` file into
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C-shell syntax and source it in your shell.
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C-shell syntax and source it in your shell.
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Finally, create the ``Makefile.config`` file from the ``Makefile.config.example``.
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Finally, create the ``Makefile.config`` file from the ``Makefile.config.example``.
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Note that the ``popcnt`` instruction accelerates *a lot* the programs, to the
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Note that the ``popcnt`` instruction accelerates *a lot* the programs, so the
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SSE4.2, AVX or AVX2 instruction sets should be enabled if possible.
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SSE4.2, AVX or AVX2 instruction sets should be enabled if possible.
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If you encounter an error saying that your Fortran compiler can't produce
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If you encounter an error saying that your Fortran compiler can't produce
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executables, it means that the built the program using an instruction set
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executables, it means that the program was built using an instruction set
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not supported by the current processor. In that case, use the ``-ax`` option
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not supported by the current processor. In that case, use the ``-ax`` option
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of the Intel Fortran compiler instead of the ``-x`` option.
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of the Intel Fortran compiler instead of the ``-x`` option, or the
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``-march=native`` option of gfortran.
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@ -1,11 +1,11 @@
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* Python > 2.6 : http://www.python.org
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* Python > 2.6 : http://www.python.org
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* IRPF90 : http://irpf90.ups-tlse.fr
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* IRPF90 : http://irpf90.ups-tlse.fr
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* EZFIO : http://github.com/scemama/EZFIO
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* EZFIO : http://github.com/scemama/EZFIO
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* Intel Fortran compiler (with MKL library)
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* Fortran compiler : gfortran or ifort
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* Lapack library : liblapack.so or MKL
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* GNU make : http://www.gnu.org/software/make
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* GNU make : http://www.gnu.org/software/make
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* Ocaml with Opam : https://raw.github.com/hcarty/ocamlbrew/master/ocamlbrew-install
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* Ocaml with Opam : https://opam.ocaml.org/doc/Install.html
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* m4 : http://www.gnu.org/software/m4/
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* m4 : http://www.gnu.org/software/m4/
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* curl : http://curl.haxx.se/
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* curl : http://curl.haxx.se/
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* EMSL_Basis_Set_Exchange_Local : https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local
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* EMSL_Basis_Set_Exchange_Local : https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local
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* Zlib : http://zlib.net
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* Zlib : http://zlib.net
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* GNU Patch : http://savannah.gnu.org/projects/patch/
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