From b7087c8e86446265d1d0a21e1501ef6dab8ab043 Mon Sep 17 00:00:00 2001
From: Pau Andrio <andriopau@gmail.com>
Date: Wed, 23 Oct 2024 17:57:05 +0200
Subject: [PATCH 1/2] [biobb_flexserv] update 5.0.0

---
 recipes/biobb_flexserv/meta.yaml | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/recipes/biobb_flexserv/meta.yaml b/recipes/biobb_flexserv/meta.yaml
index a766b6d8ff5cd..6d8383ec51fe4 100644
--- a/recipes/biobb_flexserv/meta.yaml
+++ b/recipes/biobb_flexserv/meta.yaml
@@ -1,5 +1,5 @@
 {% set name = "biobb_flexserv" %}
-{% set version = "4.2.0" %}
+{% set version = "5.0.0" %}
 
 package:
   name: '{{ name|lower }}'
@@ -7,7 +7,7 @@ package:
 
 source:
   url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
-  sha256: 62b3ecb6dacca9cd0496dec9e6ebe5e43e4d0e3fcfd8b122a20dda940d49162e 
+  sha256: 90c2b03541d144026f2f6866e8fd166b0440f73a7c34c83f49b81dd826374edc
 
 build:
   number: 0
@@ -18,15 +18,15 @@ build:
 
 requirements:
   host:
-    - python >=3.8
+    - python >=3.9
     - setuptools
-    - biobb_common ==4.2.0
+    - biobb_common ==5.0.0
     - flexserv ==1.0.2
     - pcasuite ==1.0.0
     - perl
   run:
-    - python >=3.8
-    - biobb_common ==4.2.0
+    - python >=3.9
+    - biobb_common ==5.0.0
     - flexserv ==1.0.2
     - pcasuite ==1.0.0
     - perl

From a0dcc239df4621b9c8edeeed51561c73670fa02e Mon Sep 17 00:00:00 2001
From: Joshua Zhuang <71105179+mencian@users.noreply.github.com>
Date: Fri, 25 Oct 2024 03:14:32 -0500
Subject: [PATCH 2/2] bump build number

---
 recipes/biobb_flexserv/meta.yaml | 32 ++++++++++++++++++++++----------
 1 file changed, 22 insertions(+), 10 deletions(-)

diff --git a/recipes/biobb_flexserv/meta.yaml b/recipes/biobb_flexserv/meta.yaml
index 6d8383ec51fe4..556ac731beab6 100644
--- a/recipes/biobb_flexserv/meta.yaml
+++ b/recipes/biobb_flexserv/meta.yaml
@@ -10,9 +10,24 @@ source:
   sha256: 90c2b03541d144026f2f6866e8fd166b0440f73a7c34c83f49b81dd826374edc
 
 build:
-  number: 0
+  number: 1
   noarch: python
-  script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv"
+  script: "{{ PYTHON }} -m pip install . --no-deps --no-build-isolation --no-cache-dir -vvv"
+  entry_points:
+    - bd_run = biobb_flexserv.flexserv.bd_run:main
+    - dmd_run = biobb_flexserv.flexserv.dmd_run:main
+    - nma_run = biobb_flexserv.flexserv.nma_run:main
+    - pcz_zip = biobb_flexserv.pcasuite.pcz_zip:main
+    - pcz_unzip = biobb_flexserv.pcasuite.pcz_unzip:main
+    - pcz_animate = biobb_flexserv.pcasuite.pcz_animate:main
+    - pcz_bfactor = biobb_flexserv.pcasuite.pcz_bfactor:main
+    - pcz_collectivity = biobb_flexserv.pcasuite.pcz_collectivity:main
+    - pcz_evecs = biobb_flexserv.pcasuite.pcz_evecs:main
+    - pcz_hinges = biobb_flexserv.pcasuite.pcz_hinges:main
+    - pcz_info = biobb_flexserv.pcasuite.pcz_info:main
+    - pcz_lindemann = biobb_flexserv.pcasuite.pcz_lindemann:main
+    - pcz_stiffness = biobb_flexserv.pcasuite.pcz_stiffness:main
+    - pcz_similarity = biobb_flexserv.pcasuite.pcz_similarity:main
   run_exports:
     - {{ pin_subpackage(name, max_pin='x') }}
 
@@ -20,13 +35,10 @@ requirements:
   host:
     - python >=3.9
     - setuptools
-    - biobb_common ==5.0.0
-    - flexserv ==1.0.2
-    - pcasuite ==1.0.0
-    - perl
+    - pip
   run:
     - python >=3.9
-    - biobb_common ==5.0.0
+    - biobb_common =={{ version }}
     - flexserv ==1.0.2
     - pcasuite ==1.0.0
     - perl
@@ -39,10 +51,10 @@ test:
 
 about:
   home: https://github.com/bioexcel/biobb_flexserv
-  license: Apache Software License
+  license: Apache-2.0
   license_family: APACHE
-  license_file: ''
-  summary: Biobb_flexserv is the Biobb module collection for biomolecular flexibility studies on protein 3D structures.
+  license_file: LICENSE
+  summary: Biobb_flexserv is the BioBB module collection for biomolecular flexibility studies on protein 3D structures.
   description: "biobb_flexserv allows the generation of protein conformational ensembles from 3D structures and the analysis of its molecular flexibility. It is based on the work included in the FlexServ server (https://mmb.irbbarcelona.org/FlexServ/, Camps et. al., FlexServ: an integrated tool for the analysis of protein flexibility, Bioinformatics, Volume 25, Issue 13, 1 July 2009, Pages 1709–1710, https://doi.org/10.1093/bioinformatics/btp304).\nBiobb (BioExcel building blocks) packages are Python\
     \ building blocks that\ncreate new layer of compatibility and interoperability over popular\n
     \ bioinformatics tools.\nThe latest documentation of this package can be found in our readthedocs site: http://biobb_vs.readthedocs.io/en/latest/).\n"