Add conda recipe

Author: Rob-Welch

conda-recipe/meta.yaml

@@ -0,0 +1,35 @@
+package:
+  name: prepmd
+  version: 1.0
+
+source:
+  #git_url: https://www.github.com/ccpbiosim/prepmd.git
+  path: ..
+
+requirements:
+  build:
+    - python
+    - pip
+    - setuptools
+  run:
+    - python
+    - requests
+    - openmm
+    - pdbfixer
+    - modeller
+    - biopython
+    - mdanalysis
+    - openmmtools
+    - rdkit
+    - openff-toolkit
+test:
+  commands:
+    - prep-license MODELIRANJE
+  imports:
+    - prepmd
+
+about:
+  summary: A utility to automatically prepare structures from the PDB for molecular dynamics simulation
+  dev_url: https://github.com/CCPBioSim/prepmd
+  license: GNU Affero General Public License v3.0
+  license_file: LICENSE