update recipe

conda-forge · Feb 20, 2025 · dc04a66 · dc04a66
1 parent bc34900
commit dc04a66
Show file tree

Hide file tree

Showing 2 changed files with 21 additions and 44 deletions.
diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml
diff --git a/recipe/meta.yaml b/recipe/meta.yaml
@@ -10,53 +10,47 @@ source:
   sha256: d6cc66ff998f2a55b0edb1a160acda356e0e282be1f749f92d730824307448f8
 
 build:
-  number: 0
-  skip: true  # [python_impl == 'pypy']
-  skip: true  # [py>312]
   skip: true  # [py<39]
-  script: {{ PYTHON }} -m pip install . -vv
+  entry_points:
+    - maicos = maicos.__main__:main
+  script: {{ PYTHON }} -m pip install . -vv --no-deps --no-build-isolation
+  number: 0
 
 requirements:
   build:
-    - python                                 # [build_platform != target_platform]
-    - cross-python_{{ target_platform }}     # [build_platform != target_platform]
-    - cython                                 # [build_platform != target_platform]
-    - numpy                                  # [build_platform != target_platform]
     - {{ compiler('c') }}
-    - {{ stdlib("c") }}
-    - {{ compiler('cxx') }}
-    - libgomp  # [linux]
   host:
-    - python
-    - pip
-    - numpy {{ numpy }}
-    - cython
+    - python >=3.9
+    - cython >=0.28
     - packaging
+    - numpy >=2.0.0
+    - setuptools >=43.0.0
+    - setuptools-git-versioning <2
     - versioneer
-    - tomli
-
+    - wheel
+    - pip
   run:
-    - python
-    - scipy >=1.0.0
-    - {{ pin_compatible('numpy', lower_bound='1.22.3') }}
-    - mdanalysis >=2.7.0
+    - python >=3.9
     - mdacli >=0.1.28
-    - tqdm >=4.60.0
+    - mdanalysis >=2.8.0
     - typing_extensions
-
-
+    - {{ pin_compatible('numpy') }}
 
 test:
   imports:
-    - MDAnalysis
-    - MDAnalysis.analysis
+    - maicos
+  commands:
+    - pip check
+    - maicos --help
+  requires:
+    - pip
 
 about:
   home: https://www.maicos-analysis.org
   license: GPL-3.0-or-later
   license_family: GPL
   license_file: LICENSE
-  summary: A Python package for Molecular Analysis for Interfacial and Confined Systems.
+  summary: Analyse molecular dynamics simulations of interfacial and confined systems.
   description: MAICoS is an object-oriented python toolkit for analysing the structure and dynamics of interfacial and confined fluids from molecular simulations. Combined with MDAnalysis, MAICoS can be used to extract density profiles, dielectric constants, structure factors, or transport properties from trajectories files,
     including LAMMPS, GROMACS, CHARMM or NAMD data. MAICoS is open source and is released under the GNU general public license v3.0.
   doc_url: https://www.maicos-analysis.org