Skip to content
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension


Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
11 changes: 9 additions & 2 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ build-backend = "uv_build"

[project]
name = "xchem-hippo"
version = "2.0.3"
version = "2.0.4"
authors = [
{ name = "Max Winokan", email = "max@winokan.com" },
{ name = "Kalev Takkis", email = "ktakkis@informaticsmatters.com" },
Expand Down Expand Up @@ -43,7 +43,14 @@ dependencies = [
"openpyxl>=3.1",
"ipywidgets>=8.1",
"networkx>=3.4",
"openmm>=8.4",
# Not imported by HIPPO -- carried for molparse, whose protonate.py imports
# openmm.app and pdbfixer lazily without declaring either. Floor is 8.3
# rather than 8.4 (which was an incidental pin-to-current, not an API
# requirement) so conda-forge/miniforge users on 8.3.x are not forced into a
# PyPI build over the top of theirs. pdbfixer itself only needs >=8.2, and
# the APIs molparse uses predate both. Do not pin exactly: only 8.5.x ships
# linux aarch64 wheels, which [tool.uv] required-environments demands.
"openmm>=8.3",
"apsw>=3.51",
"python-louvain>=0.16",
"psycopg[binary]>=3.3",
Expand Down
4 changes: 2 additions & 2 deletions uv.lock

Some generated files are not rendered by default. Learn more about how customized files appear on GitHub.

Loading