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shirtsgroup / InterMol

Conversion tool for molecular simulations
MIT License
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Update package setup #389

Closed mattwthompson closed 1 year ago

mattwthompson commented 1 year ago

There's some legacy stuff in setup.py that's causing issues for building a conda package (https://github.com/conda-forge/intermol-feedstock/pull/2). These changes are mostly pulled from the most recent release of the MolSSI cookiecutter (https://github.com/MolSSI/cookiecutter-cms/tree/1.4/%7B%7Bcookiecutter.repo_name%7D%7D).

mattwthompson commented 1 year ago

I ran a build from my local clone of the feedstock with this diff

diff --git a/recipe/meta.yaml b/recipe/meta.yaml
index acd0dd6..c498a5b 100644
--- a/recipe/meta.yaml
+++ b/recipe/meta.yaml
@@ -6,8 +6,8 @@ package:
   version: {{ version }}

 source:
-  url: https://github.com/shirtsgroup/InterMol/archive/v{{ version }}.tar.gz
-  sha256: e59163d47426f0b7cd5e6e5c11ad833ed8d99050e4dc2312d03bbb567b0f437b
+  git_url: https://github.com/shirtsgroup/InterMol.git
+  git_rev: 27b5f350e9aba5b1d40282d5ebd9912401581af9

 build:
   noarch: python

and even though it took forever, it did build and pass