From 8ce8073cca6e139f7201efa48a21c5622a03d0dc Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Mon, 1 Aug 2022 18:28:49 +0000
Subject: [PATCH 1/4] [pre-commit.ci] pre-commit autoupdate
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

updates:
- [github.com/PyCQA/flake8: 4.0.1 → 5.0.2](https://github.com/PyCQA/flake8/compare/4.0.1...5.0.2)
---
 .pre-commit-config.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index fd8ec24..1d39930 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -12,7 +12,7 @@ repos:
   - id: isort
     files: ^physical_validation
 - repo: https://github.com/PyCQA/flake8
-  rev: 4.0.1
+  rev: 5.0.2
   hooks:
   - id: flake8
     files: ^physical_validation

From 6999948c28dfbc8dfd8044a52fe32ace4239541d Mon Sep 17 00:00:00 2001
From: "Matthew W. Thompson" <mattwthompson@protonmail.com>
Date: Mon, 1 Aug 2022 13:35:47 -0500
Subject: [PATCH 2/4] Decrease update frequency to quarterly

---
 .pre-commit-config.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 1d39930..91698ba 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -1,5 +1,5 @@
 ci:
-  autoupdate_schedule: "monthly"
+  autoupdate_schedule: "quarterly"
 repos:
 - repo: https://github.com/psf/black
   rev: 22.6.0

From b6a2dbc2526369a31a63107995f9c12de7edd08a Mon Sep 17 00:00:00 2001
From: "Matthew W. Thompson" <mattwthompson@protonmail.com>
Date: Mon, 1 Aug 2022 13:36:24 -0500
Subject: [PATCH 3/4] Pin `pymbar <4`

---
 devtools/conda-envs/test_env.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 89033e5..78f4dfe 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -18,4 +18,4 @@ dependencies:
   - numpy
   - scipy
   - matplotlib
-  - pymbar
+  - pymbar <4  # See issue #216

From 071d7e487dcd668a5a5516f7543a3f4dd8730f40 Mon Sep 17 00:00:00 2001
From: "Matthew W. Thompson" <mattwthompson@protonmail.com>
Date: Fri, 3 Nov 2023 21:26:11 -0500
Subject: [PATCH 4/4] Use newer GROMACS builds

---
 devtools/conda-envs/test_env.yaml | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index 78f4dfe..70f25f3 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -12,7 +12,8 @@ dependencies:
   - pytest-cov
   - pytest-regressions
   - codecov
-  - gromacs
+  # GHA runners don't provide RDTSCP on macOS, which older builds require
+  - gromacs =2023.3=nompi_*_101
 
     # Standard dependencies
   - numpy