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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00

Updated documentation

Anthony Scemama 2015-03-26 23:50:42 +01:00
parent 616bc6f1e6
commit 3b079cc103
3 changed files with 13 additions and 16 deletions

@ -20,7 +20,6 @@
make make
6) Start a `tsocks` ssh tunnel:: 6) Start a `tsocks` ssh tunnel::
ssh -fN -D 10000 user@external-server.com ssh -fN -D 10000 user@external-server.com
@ -30,8 +29,8 @@
export LD_PRELOAD="${PWD}/libtsocks.so.1.8" export LD_PRELOAD="${PWD}/libtsocks.so.1.8"
8) Create a custom curl command to set the tsocks option: open a file named 8) 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 ``curl``, which is accessible from your ``PATH`` environment variable before
real ``curl`` command, and fill this file with:: the real ``curl`` command, and fill this file with::
#!/bin/bash #!/bin/bash
/usr/bin/curl --socks5 127.0.0.1:10000 $@ /usr/bin/curl --socks5 127.0.0.1:10000 $@

@ -1,15 +1,12 @@
Setup the environment:: Setup the environment::
make ./setup_environment.sh
This will automatically download and compile the requirements. This will automatically download and compile the requirements.
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:: By default, the Ocaml compiler will be installed in ``$HOME/.opam``.
For more info about the Ocaml installation, check the Opam website :
export OCAMLBREW_BASE=/usr/local/ocamlbrew https://opam.ocaml.org/doc/Install.html
For more info about the Ocaml installation, check the ocamlbrew website : https://github.com/hcarty/ocamlbrew
A configuration file named ``quantum_package.rc`` will be created. A configuration file named ``quantum_package.rc`` will be created.
To finish the installation, source this file in your shell:: To finish the installation, source this file in your shell::
@ -22,11 +19,12 @@ If you use a C-shell, you will have to translate the ``.bashrc`` file into
C-shell syntax and source it in your shell. C-shell syntax and source it in your shell.
Finally, create the ``Makefile.config`` file from the ``Makefile.config.example``. Finally, create the ``Makefile.config`` file from the ``Makefile.config.example``.
Note that the ``popcnt`` instruction accelerates *a lot* the programs, to the Note that the ``popcnt`` instruction accelerates *a lot* the programs, so the
SSE4.2, AVX or AVX2 instruction sets should be enabled if possible. SSE4.2, AVX or AVX2 instruction sets should be enabled if possible.
If you encounter an error saying that your Fortran compiler can't produce If you encounter an error saying that your Fortran compiler can't produce
executables, it means that the built the program using an instruction set executables, it means that the program was built using an instruction set
not supported by the current processor. In that case, use the ``-ax`` option not supported by the current processor. In that case, use the ``-ax`` option
of the Intel Fortran compiler instead of the ``-x`` option. of the Intel Fortran compiler instead of the ``-x`` option, or the
``-march=native`` option of gfortran.

@ -1,11 +1,11 @@
* Python > 2.6 : http://www.python.org * Python > 2.6 : http://www.python.org
* IRPF90 : http://irpf90.ups-tlse.fr * IRPF90 : http://irpf90.ups-tlse.fr
* EZFIO : http://github.com/scemama/EZFIO * EZFIO : http://github.com/scemama/EZFIO
* Intel Fortran compiler (with MKL library) * Fortran compiler : gfortran or ifort
* Lapack library : liblapack.so or MKL
* GNU make : http://www.gnu.org/software/make * GNU make : http://www.gnu.org/software/make
* Ocaml with Opam : https://raw.github.com/hcarty/ocamlbrew/master/ocamlbrew-install * Ocaml with Opam : https://opam.ocaml.org/doc/Install.html
* m4 : http://www.gnu.org/software/m4/ * m4 : http://www.gnu.org/software/m4/
* curl : http://curl.haxx.se/ * curl : http://curl.haxx.se/
* EMSL_Basis_Set_Exchange_Local : https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local * EMSL_Basis_Set_Exchange_Local : https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local
* Zlib : http://zlib.net * Zlib : http://zlib.net
* GNU Patch : http://savannah.gnu.org/projects/patch/