From d835dff8503055489068d6a21b02f1de5b7570fe Mon Sep 17 00:00:00 2001
From: James Graham <j.graham@soton.ac.uk>
Date: Sat, 14 Aug 2021 22:02:13 +0100
Subject: [PATCH] build: disallow mdtraj version 1.9.6

A bugfix in this version introduced another bug which prevented reading
GRO files with non-standard residue names
---
 poetry.lock    | 2 +-
 pyproject.toml | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index 83b81f6..7e59ca5 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -1030,7 +1030,7 @@ docs = ["Sphinx", "sphinx-autoapi", "sphinx-rtd-theme", "myst-parser"]
 [metadata]
 lock-version = "1.1"
 python-versions = "^3.6"
-content-hash = "c5d9c3b58fa8b5eba2a06b73e25cb08fdeccb866cb95b2280dde281a1d831de7"
+content-hash = "6ae1d63995f0075522493c6bfc1ed82b3cbeaa9d514066e0df712ce98e7cbeeb"
 
 [metadata.files]
 alabaster = [
diff --git a/pyproject.toml b/pyproject.toml
index 8a6ee0b..ef15c9b 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -34,7 +34,7 @@ numpy = [
 ]
 cython = "^0.29.21"
 astunparse = "1.6.2"  # See https://github.com/mdtraj/mdtraj/issues/1613
-mdtraj = "^1.9.5"
+mdtraj = "^1.9.5, !=1.9.6"
 rich = "^9.2.0"
 mdplus = { version = "^0.0.5", optional = true }
 
-- 
GitLab