progress on #429 BindCraft

vscentrum · Dec 16, 2024 · ca78c06 · ca78c06
1 parent b96cad7
commit ca78c06
Show file tree

Hide file tree

Showing 3 changed files with 4 additions and 195 deletions.
diff --git a/429_BindCraft/BindCraft-1.1.0-foss-2023a-CUDA-12.1.1.eb b/429_BindCraft/BindCraft-1.1.0-foss-2023a-CUDA-12.1.1.eb
@@ -14,6 +14,10 @@ source_urls = ['https://github.com/martinpacesa/BindCraft/archive/refs/tags/']
 sources = [{'download_filename': 'v%(version)s.tar.gz', 'filename': '%(name)s-%(version)s.tar.gz'}]
 checksums = ['c682f59501f0bcfbb8289fd066362dcea37ed8553cdff5c794a2baa6d4149ce7']
 
+builddependencies = [
+    ('hatchling', '1.18.0'),
+]
+
 dependencies = [
     ('CUDA', '12.1.1', '', SYSTEM),
     ('Python', '3.11.3'),
@@ -32,7 +36,6 @@ dependencies = [
     ('Optax', '0.2.2', versionsuffix),
     ('py3Dmol', '2.1.0'),
     ('JupyterLab', '4.0.5'),
-    ('hatchling', '1.18.0'),
     ('Flax', '0.8.4', versionsuffix),
 ]
 

diff --git a/429_BindCraft/BindCraft-1.1.0-foss-2023a.eb b/429_BindCraft/BindCraft-1.1.0-foss-2023a.eb
@@ -90,7 +90,3 @@ sanity_check_paths = {
 sanity_check_commands = ["bindcraft.py --help"]
 
 moduleclass = 'bio'
-
-# TODO
-# hatch-jupyter-builder 0.8.3 requires hatchling, which is not installed.
-# hatch-nodejs-version 0.3.1 requires hatchling, which is not installed.
diff --git a/429_BindCraft/jupyter-server-2.7.2-GCCcore-12.3.0.eb b/429_BindCraft/jupyter-server-2.7.2-GCCcore-12.3.0.eb