From 209cf324ee19280d4136f4fc0fe32679f9fd5539 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 5 Sep 2024 14:48:58 +0200
Subject: [PATCH] Update toplevel

---
 Makefile                     |  2 +-
 examples/ex_hartree_fock.org |  2 +-
 top/install_printers.sh      |  5 ++++-
 top/lib/dune                 |  1 +
 top/lib/install_printers.ml  | 40 ++++++++++++++++++++++++++++++++++--
 5 files changed, 45 insertions(+), 5 deletions(-)

diff --git a/Makefile b/Makefile
index c9058fc..099fe2d 100644
--- a/Makefile
+++ b/Makefile
@@ -10,7 +10,7 @@ default: build
 
 
 build:
-	top/install_printers.sh > top/lib/install_printers.ml
+	cd top ; ./install_printers.sh > ./lib/install_printers.ml
 	dune build
 
 build-prof:
diff --git a/examples/ex_hartree_fock.org b/examples/ex_hartree_fock.org
index 4aae18c..83c2eb4 100644
--- a/examples/ex_hartree_fock.org
+++ b/examples/ex_hartree_fock.org
@@ -3,7 +3,7 @@
 #+PROPERTY
 
 In this example, we write a program that makes a Hartree-Fock
-caculation.  The molecule is read in =xyz= format and a Gaussian
+calculation.  The molecule is read in =xyz= format and a Gaussian
 atomic basis set in GAMESS format. 
 
 * Header 
diff --git a/top/install_printers.sh b/top/install_printers.sh
index d921540..6427e96 100755
--- a/top/install_printers.sh
+++ b/top/install_printers.sh
@@ -34,7 +34,10 @@ let eval_exn str =
 
 
 let rec install_printers = function
-  | [] -> eval_exn "#require \"lacaml.top\";;"
+  | [] -> eval_exn "
+#require \"lacaml.top\";;
+#require \"trexio\";;
+"
   | printer :: printers ->
       let cmd = Printf.sprintf "#install_printer %s;;" printer in
       eval_exn cmd && install_printers printers
diff --git a/top/lib/dune b/top/lib/dune
index aa7f41e..af302c0 100644
--- a/top/lib/dune
+++ b/top/lib/dune
@@ -7,6 +7,7 @@
   )
  (modes byte)
  (libraries
+  trexio
   compiler-libs.toplevel
   qcaml
  )
diff --git a/top/lib/install_printers.ml b/top/lib/install_printers.ml
index 7721eb4..be8a7bd 100644
--- a/top/lib/install_printers.ml
+++ b/top/lib/install_printers.ml
@@ -1,6 +1,39 @@
 let printers =
   [
-
+    "Ao.Basis_gaussian.pp" ;
+    "Ao.Basis.pp" ;
+    "Ci.Determinant.pp" ;
+    "Ci.Determinant_space.pp" ;
+    "Ci.Phase.pp" ;
+    "Ci.Spindeterminant.pp" ;
+    "Ci.Spindeterminant_space.pp" ;
+    "Common.Angular_momentum.pp" ;
+    "Common.Bitstring.pp" ;
+    "Common.Charge.pp" ;
+    "Common.Coordinate.pp" ;
+    "Common.Powers.pp" ;
+    "Common.Range.pp" ;
+    "Common.Spin.pp" ;
+    "Common.Zkey.pp" ;
+    "Gaussian.Atomic_shell.pp" ;
+    "Gaussian.Atomic_shell_pair_couple.pp" ;
+    "Gaussian.Atomic_shell_pair.pp" ;
+    "Gaussian.Basis.pp" ;
+    "Gaussian.Contracted_shell.pp" ;
+    "Gaussian.General_basis.pp" ;
+    "Linear_algebra.Matrix.pp" ;
+    "Mo.Basis.pp" ;
+    "Mo.Class.pp" ;
+    "Mo.Fock.pp" ;
+    "Mo.Frozen_core.pp" ;
+    "Mo.Hartree_fock.pp" ;
+    "Mo.Localization.pp" ;
+    "Particles.Electrons.pp" ;
+    "Particles.Element.pp" ;
+    "Particles.Nuclei.pp" ;
+    "Particles.Zmatrix.pp" ;
+    "Perturbation.Mp2.pp" ;
+    "Simulation.pp" ;
   ]
 
 let eval_exn str =
@@ -10,7 +43,10 @@ let eval_exn str =
 
 
 let rec install_printers = function
-  | [] -> eval_exn "#require \"lacaml.top\";;"
+  | [] -> eval_exn "
+#require \"lacaml.top\";;
+#require \"trexio\";;
+"
   | printer :: printers ->
       let cmd = Printf.sprintf "#install_printer %s;;" printer in
       eval_exn cmd && install_printers printers