mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
86 lines
2.0 KiB
Markdown
86 lines
2.0 KiB
Markdown
# Installation
|
|
|
|
## Requirements
|
|
|
|
* curl
|
|
* m4
|
|
* GNU make
|
|
* Fortran compiler (ifort or gfortran are tested)
|
|
* Python >= 2.6
|
|
* Bash
|
|
* Patch (for opam)
|
|
|
|
## Optional
|
|
|
|
* graphviz
|
|
|
|
|
|
## Standard installation
|
|
|
|
1) `./setup_environment.sh`
|
|
|
|
This command will download and install all the requirements.
|
|
Installing OCaml and the Core library may take somme time
|
|
(up to 20min on an old machine).
|
|
|
|
2) `source quantum_package.rc`
|
|
|
|
This file contains all the environement variables neeeded by the quantum package
|
|
both to compile and run. This should also be done before running calculations.
|
|
|
|
3) `cp ./src/Makefile.config.gfortran ./src/Makefile.config`
|
|
|
|
Create the ``Makefile.config`` which contains all the flags needed by the compiler.
|
|
The is also an example for the Intel Compiler (`Makefile.config.ifort`).
|
|
Edit this file and tune the flags as you want.
|
|
|
|
4) `make build`
|
|
|
|
It will compile all the executables and tools.
|
|
|
|
5) `make binary`
|
|
|
|
Optional. It will build a `tar.gz` file containing everything needed to run the quantum package on a
|
|
machine where you can't compile.
|
|
|
|
|
|
## Installing behind a firewall
|
|
|
|
1) Download `tsocks`:
|
|
|
|
wget http://sourceforge.net/projects/tsocks/files/latest/download
|
|
mv download tsocks.tar.gz
|
|
|
|
2) Tranfer `tsocks.tar.gz` on the remote host
|
|
|
|
3) Configure `tsocks` with the proper directory for the `tsocks.conf` file:
|
|
|
|
tar -zxvf tsocks.tar.gz
|
|
cd tsocks-*
|
|
./configure --with-conf=${PWD}/tsocks.conf
|
|
|
|
4) Create the `tsocks.conf` file with the following content:
|
|
|
|
server = 127.0.0.1
|
|
server_port = 10000
|
|
|
|
5) Create the tsocks library:
|
|
|
|
make
|
|
|
|
6) Add the `libtsocks.so` to the `LD_PRELOAD` environment variable:
|
|
|
|
export LD_PRELOAD="${PWD}/libtsocks.so.1.8"
|
|
|
|
7) Create a custom curl command to set the tsocks option: open a file named
|
|
`curl`, which is accessible from your `PATH` environment variable before the
|
|
real `curl` command, and fill this file with:
|
|
|
|
#!/bin/bash
|
|
/usr/bin/curl --socks5 127.0.0.1:10000 $@
|
|
|
|
8) Start a tsocks ssh tunnel:
|
|
|
|
ssh -fN -D 10000 user@external-server.com
|
|
|