From ec3e2322907b7096a4a36189cc91b8b2445b5ca0 Mon Sep 17 00:00:00 2001
From: daniel <daniel.soler@e-campus.uab.cat>
Date: Fri, 24 May 2019 12:25:27 +0200
Subject: [PATCH 1/2] Include anaconda installation

---
 conda_recipe/meta.yaml | 35 +++++++++++++++++++++++++++++++++++
 1 file changed, 35 insertions(+)
 create mode 100644 conda_recipe/meta.yaml

diff --git a/conda_recipe/meta.yaml b/conda_recipe/meta.yaml
new file mode 100644
index 00000000..10d87457
--- /dev/null
+++ b/conda_recipe/meta.yaml
@@ -0,0 +1,35 @@
+# must do conda install -c NostrumBioDiscovery frag_pele 
+package:
+  name: adaptive_pele
+  version: "1.6.1"
+
+about:
+  home: https://github.com/AdaptivePELE/AdaptivePELE
+  license: Apache
+  license_file: LICENSE
+  summary: AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations
+
+source:
+  path: ../
+
+build:
+  script: python -m pip install . --no-deps -vv
+  number: 0
+
+requirements:
+  host:
+    - python
+    - numpy
+
+  run:
+    # Base dependencies
+    - python
+    - numpy
+    - mdtraj
+    - scikit-learn
+
+test:
+  imports:
+    - AdaptivePELE
+  command:
+    - python -m AdaptivePELE.adaptiveSampling -h 

From d566471d47b6efecec6a8f8139b9dd22bc04f3fe Mon Sep 17 00:00:00 2001
From: daniel <daniel.soler@e-campus.uab.cat>
Date: Fri, 24 May 2019 12:26:29 +0200
Subject: [PATCH 2/2] Update specs inside meta.yaml

---
 conda_recipe/meta.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conda_recipe/meta.yaml b/conda_recipe/meta.yaml
index 10d87457..9a15fb0d 100644
--- a/conda_recipe/meta.yaml
+++ b/conda_recipe/meta.yaml
@@ -1,4 +1,4 @@
-# must do conda install -c NostrumBioDiscovery frag_pele 
+# must do conda install -c NostrumBioDiscovery adaptive_pele 
 package:
   name: adaptive_pele
   version: "1.6.1"