From a602ffd86b0b6ab7c750d008a05a7fb777f1be9a Mon Sep 17 00:00:00 2001
From: Thomas Applencourt <t.applencourt@gmail.com>
Date: Wed, 3 Jun 2015 18:55:29 +0200
Subject: [PATCH] Modify ref value to good one

---
 COMPILE_RUN.md               | 31 +++++++++++++++++++++++++++++++
 tests/unit_test/unit_test.py |  2 +-
 2 files changed, 32 insertions(+), 1 deletion(-)
 create mode 100644 COMPILE_RUN.md

diff --git a/COMPILE_RUN.md b/COMPILE_RUN.md
new file mode 100644
index 00000000..7e9025b9
--- /dev/null
+++ b/COMPILE_RUN.md
@@ -0,0 +1,31 @@
+# Compile
+
+We need to create the file who contain all the tree dependencies for the binaries. It's not a MakeFile, but a Ninja file. (So don't type `make` is hopeless, type `ninja` instead)
+
+The script to create the dependencies file (aka `build.ninja`) is `create_ninja_build.py`.
+
+## 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 only compile one specific module use: `--development`
+
+## Compilation Flag
+
+You need to specify all the flag useful for the compilation:   like the optimization one, the mkl one .``$QPACKAGE_ROOT/config`` contains ``ifort.cfg`` and ``gfortran.cfg`` files which have the compiler flags that will be used to compile the code. You can edit these files to modify the compiling option. Put the file path when calling `create_ninja_build.py`
+
+## Example to create the Ninja file
+
+`create_ninja_build.py --production $QPACKAGE_ROOT/config/ifort.cfg`
+
+# WARNING
+
+For now reload this command if you add a `IRP.f90` or `EZFIO.cfg` file or modify the `NEED_CHILDREN_MODULE`!
+
+## Compile
+
+Just type `ninja` if you are in `$QPACKAGE_ROOT` (or `ninja -f $QPACKAGE_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
+
+If you have set the `--developement` flag in a specific module you can go in the corresponding IRPF90_temp and run `ninja` to only make the module and submodule binaries. (You can use the `-f` option too)
+
+Now go in `$QPACKAGE_ROOT/ocaml` and type `make`
\ No newline at end of file
diff --git a/tests/unit_test/unit_test.py b/tests/unit_test/unit_test.py
index 119d7676..25c8a316 100755
--- a/tests/unit_test/unit_test.py
+++ b/tests/unit_test/unit_test.py
@@ -169,7 +169,7 @@ def run_hf(geo, basis, mult=1, pseudo=False, remove_after_sucess=True):
 
     ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None)
     ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174)
-    ref_energy["vdz"]["HBO"] = Energy(None, -19.119821904)
+    ref_energy["vdz"]["HBO"] = Energy(None, -19.1198254041)
 
     # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
     # G l o b a l _ v a r i a b l e #