mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-26 15:12:14 +02:00
86 lines
2.0 KiB
Markdown
86 lines
2.0 KiB
Markdown
# Installation
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## Requirements
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* curl
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* m4
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* GNU make
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* Fortran compiler (ifort or gfortran are tested)
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* Python >= 2.6
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* Bash
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* Patch (for opam)
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## Optional
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* graphviz
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## Standard installation
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1) `./setup_environment.sh`
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This command will download and install all the requirements.
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Installing OCaml and the Core library may take somme time
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(up to 20min on an old machine).
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2) `source quantum_package.rc`
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This file contains all the environement variables neeeded by the quantum package
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both to compile and run. This should also be done before running calculations.
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3) `cp ./src/Makefile.config.gfortran ./src/Makefile.config`
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Create the ``Makefile.config`` which contains all the flags needed by the compiler.
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The is also an example for the Intel Compiler (`Makefile.config.ifort`).
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Edit this file and tune the flags as you want.
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4) `make build`
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It will compile all the executables and tools.
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5) `make binary`
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Optional. It will build a `tar.gz` file containing everything needed to run the quantum package on a
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machine where you can't compile.
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## Installing behind a firewall
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1) Download `tsocks`:
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wget http://sourceforge.net/projects/tsocks/files/latest/download
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mv download tsocks.tar.gz
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2) Tranfer `tsocks.tar.gz` on the remote host
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3) Configure `tsocks` with the proper directory for the `tsocks.conf` file:
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tar -zxvf tsocks.tar.gz
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cd tsocks-*
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./configure --with-conf=${PWD}/tsocks.conf
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4) Create the `tsocks.conf` file with the following content:
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server = 127.0.0.1
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server_port = 10000
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5) Create the tsocks library:
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make
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6) Add the `libtsocks.so` to the `LD_PRELOAD` environment variable:
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export LD_PRELOAD="${PWD}/libtsocks.so.1.8"
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7) 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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real `curl` command, and fill this file with:
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#!/bin/bash
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/usr/bin/curl --socks5 127.0.0.1:10000 $@
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8) Start a tsocks ssh tunnel:
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ssh -fN -D 10000 user@external-server.com
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