From b8fc8b3c0ce0938e8c75d5d02bdb3091b4ea2abf Mon Sep 17 00:00:00 2001
From: Bernat Puigdomenech Pascual <bernipuig@hotmail.com>
Date: Tue, 29 Oct 2024 19:03:28 +0100
Subject: [PATCH] Update meta.yaml

---
 recipe/meta.yaml | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/recipe/meta.yaml b/recipe/meta.yaml
index 785c7b5..11d82c7 100644
--- a/recipe/meta.yaml
+++ b/recipe/meta.yaml
@@ -11,7 +11,9 @@ source:
 
 build:
   noarch: python
-  script: {{ PYTHON }} -m pip install . -vv
+  script: 
+    - {{ PYTHON }} -m pip install . -vv
+    - if [[ "$(uname)" == "Linux" || "$(uname)" == "Darwin" ]]; then conda install -y -c conda-forge openbabel=3.1.1 xtb crest; fi # verifico que el SO sea Linux o Mac y si es así instala xtb, crest y openbabel si es Windows no
   number: 0
 
 requirements:
@@ -28,6 +30,10 @@ requirements:
     - pyyaml
     - openbabel ==3.1.1
     - rdkit ==2024.3.3
+    - ase # Añado ase, torch torchvision y torchani
+    - torch
+    - torchvision
+    - torchani
 
 test:
   imports: