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Updated Installation instructions (markdown)

Anthony Scemama 2016-01-18 21:09:06 +01:00
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Installation-instructions.md

@ -17,7 +17,7 @@ https://opam.ocaml.org/doc/Install.html
####Compilation Flags (`<config_file>`)
`<config_file>` is the path to the file who contain all the flags useful for the compilation: like the optimization flags, the Lapack libary, etc. We have two default configure file in ``$QP_ROOT/config`` : ``ifort.cfg`` and ``gfortran.cfg``. You can edit these files to modify the compiling options.
`<config_file>` is the path to the file which contains all the flags useful for the compilation : optimization flags, Lapack libary, etc. We have two default configuration files in ``$QP_ROOT/config`` : ``ifort.cfg`` and ``gfortran.cfg``. You copy these files to create a new config file adapted to your architecture.
Note that the ``popcnt`` instruction accelerates *a lot* the programs, so the
SSE4.2, AVX or AVX2 instruction sets should be enabled if possible.
@ -31,23 +31,24 @@ of the Intel Fortran compiler instead of the ``-x`` option, or the
#### What utilization of the code will you do?
* If you only want the binaries (for production workflow) use the flag
`--production` in when calling this script. It's quicker
* Else if you are a developer and you want to be able to compile specific modules use: `--development`. It will create for you the `build.ninja` in each module
`--production` when calling this script. It builds faster.
* Else if you are a developer and you want to be able to compile specific modules, `--development`. It will create for you the `build.ninja` file in each module.
### 2) Set environment variables
### 2) Set environment variable
A configuration file named ``quantum_package.rc`` will be created.
To finish the installation, source this file in your shell::
To finish the installation and to start using the quantum package, source this file in your shell::
`source quantum_package.rc`
And you can also source it inside your ``.bashrc`` file.
And you can also source it inside your ``.bashrc`` file, or create a system-wide module file.
If you use a C-shell, you will have to translate the ``.bashrc`` file into
If you use a C-shell, you will have to translate the ``quantum_package.rc`` file into
C-shell syntax and source it in your shell.
### Optional) Add some new module
### Optional) Add some new modules
From speed consideration, the quantum package have no executable out of the box. You need to install (and then compile) some module, if you wan't the executable ; the `qp_module.py` will help you.
The quantum package has no executable out of the box. You need to install (and then compile) some modules. The `qp_module.py` will help you.
```
Usage: qp_module.py list (--installed|--avalaible-local|--avalaible-remote)
@ -56,25 +57,27 @@ From speed consideration, the quantum package have no executable out of the box.
qp_module.py download -n <name> [<path_folder>...]
```
For exemple you can type : `qp_module.py install Full_CI`. This will install the `Full_CI` module. All the module installed a in the `$QP_ROOT/src/` if you wan't to check it.
For exemple you can type : `qp_module.py install Full_CI`. This will install the `Full_CI` module. All the modules are installed in the `$QP_ROOT/src/`, and all the available modules are in `$QP_ROOT/plugins/`
### 3) Compiling the fortran
### 3) Compiling the Fortran
Just type `ninja` if you are in `$QP_ROOT` (or `ninja -f $QP_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
If you have set the `--developement` flag in a specific module you can go in
the corresponding module `$QP_ROOT/src/module_name`- directory and run `ninja` to build only this module.
You can type `ninja all` in a module for compiling all the submodule
the corresponding module `$QP_ROOT/src/module_name` directory and run `ninja` to build only this module.
You can type `ninja all` in a module to compile all the submodules.
### 4) Compiling the OCaml
You need to compile the OCaml source code. OCaml as here to handle the hight level IO.
An important part of the quantum package is written in OCaml. You will also need to compile the OCaml source code.
(In a near future, this step will be integrated in the main ninja file).
```
cd $QP_ROOT ; make -C ocaml/
```
### 5) Testing if all is ok
Some unit test are available in the `test` directory. For runing the test
### 5) Testing if all is OK
Some unit tests are available in the `test` directory. To run the tests:
```
cd $QP_ROOT/tests
bats bats/qp.bats
```
```