Rebuild biobb_flexdyn (#51609)

* Update biobb_flexdyn to 5.0.0 * update dependencies * update dependencies --------- Co-authored-by: Joshua Zhuang <[email protected]> Co-authored-by: mencian <[email protected]>
bioconda · Oct 25, 2024 · 63387fd · 63387fd
1 parent ea2d6d1
commit 63387fd
Showing 1 changed file with 19 additions and 16 deletions.
diff --git a/recipes/biobb_flexdyn/meta.yaml b/recipes/biobb_flexdyn/meta.yaml
@@ -7,30 +7,31 @@ package:
 
 source:
   url: "https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz"
-  sha256: ae30f8f64e851b1e7546c7c212a079839d1e26cf01fb9d4c88bb0eb1f29f6203
+  sha256: ae30f8f64e851b1e7546c7c212a079839d1e26cf01fb9d4c88bb0eb1f29f6203 
 
 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:
+    - concoord_dist = biobb_flexdyn.flexdyn.concoord_dist:main
+    - concoord_disco = biobb_flexdyn.flexdyn.concoord_disco:main
+    - imod_imode = biobb_flexdyn.flexdyn.imod_imode:main
+    - imod_imove = biobb_flexdyn.flexdyn.imod_imove:main
+    - imod_imc = biobb_flexdyn.flexdyn.imod_imc:main
+    - nolb_nma = biobb_flexdyn.flexdyn.nolb_nma:main
+    - prody_anm = biobb_flexdyn.flexdyn.prody_anm:main
   run_exports:
     - {{ pin_subpackage(name, max_pin='x') }}
 
 requirements:
   host:
     - python >=3.9,<3.12
-    - setuptools
-    - biobb_common ==5.0.0
-    - sciPy >=1.13.0,<1.14.0
-    - concoord
-    - prody
-    - imods
-    - nolb
-
+    - pip
   run:
     - python >=3.9,<3.12
-    - biobb_common ==5.0.0
-    - sciPy >=1.13.0,<1.14.0
+    - biobb_common =={{ version }}
+    - scipy >=1.13.0,<1.14.0
     - concoord
     - prody
     - imods
@@ -43,10 +44,12 @@ test:
 
 about:
   home: https://github.com/bioexcel/biobb_flexdyn
-  license: Apache Software License
+  license: Apache-2.0
   license_family: APACHE
-  summary: Biobb_flexdyn is a BioBB category for studies on the conformational landscape of native proteins.
-  description: "# biobb_flexdyn\n\n### Introduction\nBiobb_flexdyn allows the calculation of protein conformational transitions using the GOdMD package. \nBiobb (BioExcel building blocks) packages are Python building blocks that\ncreate\
+  license_file: LICENSE
+  dev_url: https://github.com/bioexcel/biobb_flexdyn
+  summary: "Biobb_flexdyn is a BioBB category for studies on the conformational landscape of native proteins."
+  description: "# biobb_flexdyn\n\n### Introduction\nBiobb_flexdyn allows the calculation of protein conformational transitions using the GOdMD package. \nBiobb (BioExcel building blocks) packages are Python building blocks that\ncreate\ 
     \ new layer of compatibility and interoperability over popular\nbioinformatics tools.\nThe latest documentation of this package can be found in our readthedocs site:\n[latest API documentation](http://biobb_ml.readthedocs.io/en/latest/).\n\
     \n\n### Copyright & Licensing\nThis software has been developed in the [MMB group](https://mmb.irbbarcelona.org) at the [BSC](https://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\
     \n\n* (c) 2015-2024 [Barcelona Supercomputing Center](https://www.bsc.es/)\n* (c) 2015-2024 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)\n\