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Updated Installation instructions (rest => markdown)
Thomas Applencourt
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Installation-instructions.md
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## 1) Setup the environment::
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`$ ./configure <config_file> (--production | --development)`
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For example you can type `./configure config/gfortran.cfg --production`
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This command have to purpose :
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- Download and install all the requirements.
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Installing OCaml and the Core library may take some time (up to 20min on an old machine).
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- And create the file which contains all the tree dependencies for the binaries.
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It's not a Makefile, but a Ninja file (so don't type `make` is hopeless, type `ninja` instead)
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By default, the Ocaml compiler will be installed in ``$HOME/.opam``.
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For more info about the Ocaml installation, check the Opam website :
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https://opam.ocaml.org/doc/Install.html
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####Compilation Flags (`<config_file>`)
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`<config_file>` is the path to the file who contain all the flags useful for the compilation: like the optimization flags, the Lapack libary, etc. We have two default configure file in ``$QP_ROOT/config`` : ``ifort.cfg`` and ``gfortran.cfg``. You can edit these files to modify the compiling options.
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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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If you encounter an error saying that your Fortran compiler can't produce
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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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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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#### What utilization of the code will you do?
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* If you only want the binaries (for production workflow) use the flag
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`--production` in when calling this script. It's quicker
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* 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
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### 2) Set environment variable
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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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`source quantum_package.rc`
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And you can also source it inside your ``.bashrc`` file.
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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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### Optional) Add some new module
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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.
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```
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Usage: qp_module.py list (--installed|--avalaible-local|--avalaible-remote)
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qp_module.py install <name>...
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qp_module.py create -n <name> [<children_module>...]
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qp_module.py download -n <name> [<path_folder>...]
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```
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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 `$QP_ROOT/src/` if you wan't to check it.
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### 3) Compiling the fortran
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Just type `ninja` if you are in `$QP_ROOT` (or `ninja -f $QP_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
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If you have set the `--developement` flag in a specific module you can go in
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the corresponding module `$QP_ROOT/src/module_name`- directory and run `ninja` to build only this module.
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You can type `ninja all` in a module for compiling all the submodule
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### 4) Compiling the OCaml
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You need to compile the OCaml source code. OCaml as here to handle the hight level IO.
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```
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cd $QP_ROOT ; make -C ocaml/
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```
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### 5) Testing if all is ok
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Some unit test are available in the `test` directory. For runing the test
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```
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cd $QP_ROOT/tests
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bats bats/qp.bats
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```
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@ -1,34 +0,0 @@
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Setup the environment::
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./setup_environment.sh
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This will automatically download and compile the requirements.
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By default, the Ocaml compiler will be installed in ``$HOME/.opam``.
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For more info about the Ocaml installation, check the Opam website :
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https://opam.ocaml.org/doc/Install.html
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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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source quantum_package.rc
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And you can also source it inside your ``.bashrc`` file.
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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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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, so the
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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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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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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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Finally, build the binary files ::
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make build
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