From cea7ce46448a60be2104a407d53d90e776eb1d7e Mon Sep 17 00:00:00 2001
From: John Chodera <john.chodera@choderalab.org>
Date: Wed, 23 Feb 2022 08:55:50 -0800
Subject: [PATCH 01/13] Update CUDA versions to match conda-forge deployment

---
 .conda_configs/gen_confs.py                               | 4 ++--
 .../{python3.7_cuda8.0.yaml => python3.7_cuda11.1.yaml}   | 4 ++--
 .../{python3.7_cuda9.0.yaml => python3.7_cuda11.2.yaml}   | 4 ++--
 .conda_configs/python3.7_cuda9.1.yaml                     | 8 --------
 .conda_configs/python3.7_cuda9.2.yaml                     | 8 --------
 .../{python3.8_cuda8.0.yaml => python3.8_cuda11.1.yaml}   | 4 ++--
 .../{python3.8_cuda9.0.yaml => python3.8_cuda11.2.yaml}   | 4 ++--
 .conda_configs/python3.8_cuda9.1.yaml                     | 8 --------
 .conda_configs/python3.8_cuda9.2.yaml                     | 8 --------
 .../{python3.9_cuda8.0.yaml => python3.9_cuda11.1.yaml}   | 4 ++--
 .../{python3.9_cuda9.0.yaml => python3.9_cuda11.2.yaml}   | 4 ++--
 .conda_configs/python3.9_cuda9.1.yaml                     | 8 --------
 .conda_configs/python3.9_cuda9.2.yaml                     | 8 --------
 13 files changed, 14 insertions(+), 62 deletions(-)
 rename .conda_configs/{python3.7_cuda8.0.yaml => python3.7_cuda11.1.yaml} (79%)
 rename .conda_configs/{python3.7_cuda9.0.yaml => python3.7_cuda11.2.yaml} (79%)
 delete mode 100644 .conda_configs/python3.7_cuda9.1.yaml
 delete mode 100644 .conda_configs/python3.7_cuda9.2.yaml
 rename .conda_configs/{python3.8_cuda8.0.yaml => python3.8_cuda11.1.yaml} (79%)
 rename .conda_configs/{python3.8_cuda9.0.yaml => python3.8_cuda11.2.yaml} (79%)
 delete mode 100644 .conda_configs/python3.8_cuda9.1.yaml
 delete mode 100644 .conda_configs/python3.8_cuda9.2.yaml
 rename .conda_configs/{python3.9_cuda8.0.yaml => python3.9_cuda11.1.yaml} (79%)
 rename .conda_configs/{python3.9_cuda9.0.yaml => python3.9_cuda11.2.yaml} (79%)
 delete mode 100644 .conda_configs/python3.9_cuda9.1.yaml
 delete mode 100644 .conda_configs/python3.9_cuda9.2.yaml

diff --git a/.conda_configs/gen_confs.py b/.conda_configs/gen_confs.py
index b34f32e..1ed9faf 100644
--- a/.conda_configs/gen_confs.py
+++ b/.conda_configs/gen_confs.py
@@ -9,8 +9,8 @@
 import ruamel_yaml  # This gets installed with conda-build
 
 
-PYTHONS = ["3.6.* *_cpython", "3.7.* *_cpython", "3.8.* *_cpython", "3.9.* *_cpython"]
-CUDAS = [8.0, 9.0, 9.1, 9.2, 10.0, 10.1, 10.2, 11.0]
+PYTHONS = ["3.7.* *_cpython", "3.8.* *_cpython", "3.9.* *_cpython"]
+CUDAS = [10.2, 11.0, 11.1, 11.2]
 
 dumper_keys = {"indent": 4, "block_seq_indent": 2}
 dumper = ruamel_yaml.round_trip_dump
diff --git a/.conda_configs/python3.7_cuda8.0.yaml b/.conda_configs/python3.7_cuda11.1.yaml
similarity index 79%
rename from .conda_configs/python3.7_cuda8.0.yaml
rename to .conda_configs/python3.7_cuda11.1.yaml
index 5461679..6919088 100644
--- a/.conda_configs/python3.7_cuda8.0.yaml
+++ b/.conda_configs/python3.7_cuda11.1.yaml
@@ -2,7 +2,7 @@ python:
   - 3.7.* *_cpython
 
 CUDA_SHORT_VERSION:
-  - 80
+  - 111
 
 CUDA_VERSION:
-  - 8.0
+  - 11.1
diff --git a/.conda_configs/python3.7_cuda9.0.yaml b/.conda_configs/python3.7_cuda11.2.yaml
similarity index 79%
rename from .conda_configs/python3.7_cuda9.0.yaml
rename to .conda_configs/python3.7_cuda11.2.yaml
index 98720fd..79e85cf 100644
--- a/.conda_configs/python3.7_cuda9.0.yaml
+++ b/.conda_configs/python3.7_cuda11.2.yaml
@@ -2,7 +2,7 @@ python:
   - 3.7.* *_cpython
 
 CUDA_SHORT_VERSION:
-  - 90
+  - 112
 
 CUDA_VERSION:
-  - 9.0
+  - 11.2
diff --git a/.conda_configs/python3.7_cuda9.1.yaml b/.conda_configs/python3.7_cuda9.1.yaml
deleted file mode 100644
index 2d67ed4..0000000
--- a/.conda_configs/python3.7_cuda9.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 91
-
-CUDA_VERSION:
-  - 9.1
diff --git a/.conda_configs/python3.7_cuda9.2.yaml b/.conda_configs/python3.7_cuda9.2.yaml
deleted file mode 100644
index 9b8e5be..0000000
--- a/.conda_configs/python3.7_cuda9.2.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 92
-
-CUDA_VERSION:
-  - 9.2
diff --git a/.conda_configs/python3.8_cuda8.0.yaml b/.conda_configs/python3.8_cuda11.1.yaml
similarity index 79%
rename from .conda_configs/python3.8_cuda8.0.yaml
rename to .conda_configs/python3.8_cuda11.1.yaml
index 0516d2e..62b60aa 100644
--- a/.conda_configs/python3.8_cuda8.0.yaml
+++ b/.conda_configs/python3.8_cuda11.1.yaml
@@ -2,7 +2,7 @@ python:
   - 3.8.* *_cpython
 
 CUDA_SHORT_VERSION:
-  - 80
+  - 111
 
 CUDA_VERSION:
-  - 8.0
+  - 11.1
diff --git a/.conda_configs/python3.8_cuda9.0.yaml b/.conda_configs/python3.8_cuda11.2.yaml
similarity index 79%
rename from .conda_configs/python3.8_cuda9.0.yaml
rename to .conda_configs/python3.8_cuda11.2.yaml
index 60ccb59..4feb60f 100644
--- a/.conda_configs/python3.8_cuda9.0.yaml
+++ b/.conda_configs/python3.8_cuda11.2.yaml
@@ -2,7 +2,7 @@ python:
   - 3.8.* *_cpython
 
 CUDA_SHORT_VERSION:
-  - 90
+  - 112
 
 CUDA_VERSION:
-  - 9.0
+  - 11.2
diff --git a/.conda_configs/python3.8_cuda9.1.yaml b/.conda_configs/python3.8_cuda9.1.yaml
deleted file mode 100644
index e03e5b3..0000000
--- a/.conda_configs/python3.8_cuda9.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.8.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 91
-
-CUDA_VERSION:
-  - 9.1
diff --git a/.conda_configs/python3.8_cuda9.2.yaml b/.conda_configs/python3.8_cuda9.2.yaml
deleted file mode 100644
index bd41ae4..0000000
--- a/.conda_configs/python3.8_cuda9.2.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.8.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 92
-
-CUDA_VERSION:
-  - 9.2
diff --git a/.conda_configs/python3.9_cuda8.0.yaml b/.conda_configs/python3.9_cuda11.1.yaml
similarity index 79%
rename from .conda_configs/python3.9_cuda8.0.yaml
rename to .conda_configs/python3.9_cuda11.1.yaml
index 00ab77f..fa563df 100644
--- a/.conda_configs/python3.9_cuda8.0.yaml
+++ b/.conda_configs/python3.9_cuda11.1.yaml
@@ -2,7 +2,7 @@ python:
   - 3.9.* *_cpython
 
 CUDA_SHORT_VERSION:
-  - 80
+  - 111
 
 CUDA_VERSION:
-  - 8.0
+  - 11.1
diff --git a/.conda_configs/python3.9_cuda9.0.yaml b/.conda_configs/python3.9_cuda11.2.yaml
similarity index 79%
rename from .conda_configs/python3.9_cuda9.0.yaml
rename to .conda_configs/python3.9_cuda11.2.yaml
index cffadda..030dc1a 100644
--- a/.conda_configs/python3.9_cuda9.0.yaml
+++ b/.conda_configs/python3.9_cuda11.2.yaml
@@ -2,7 +2,7 @@ python:
   - 3.9.* *_cpython
 
 CUDA_SHORT_VERSION:
-  - 90
+  - 112
 
 CUDA_VERSION:
-  - 9.0
+  - 11.2
diff --git a/.conda_configs/python3.9_cuda9.1.yaml b/.conda_configs/python3.9_cuda9.1.yaml
deleted file mode 100644
index 7dd081c..0000000
--- a/.conda_configs/python3.9_cuda9.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.9.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 91
-
-CUDA_VERSION:
-  - 9.1
diff --git a/.conda_configs/python3.9_cuda9.2.yaml b/.conda_configs/python3.9_cuda9.2.yaml
deleted file mode 100644
index c6cfe2a..0000000
--- a/.conda_configs/python3.9_cuda9.2.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.9.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 92
-
-CUDA_VERSION:
-  - 9.2

From 66d92e32e791be929cee465de16402c16f5ea6c9 Mon Sep 17 00:00:00 2001
From: John Chodera <john.chodera@choderalab.org>
Date: Wed, 23 Feb 2022 08:57:38 -0800
Subject: [PATCH 02/13] Remove 10.0, 10.1

---
 .conda_configs/python3.7_cuda10.0.yaml | 8 --------
 .conda_configs/python3.7_cuda10.1.yaml | 8 --------
 .conda_configs/python3.8_cuda10.0.yaml | 8 --------
 .conda_configs/python3.8_cuda10.1.yaml | 8 --------
 .conda_configs/python3.9_cuda10.0.yaml | 8 --------
 .conda_configs/python3.9_cuda10.1.yaml | 8 --------
 6 files changed, 48 deletions(-)
 delete mode 100644 .conda_configs/python3.7_cuda10.0.yaml
 delete mode 100644 .conda_configs/python3.7_cuda10.1.yaml
 delete mode 100644 .conda_configs/python3.8_cuda10.0.yaml
 delete mode 100644 .conda_configs/python3.8_cuda10.1.yaml
 delete mode 100644 .conda_configs/python3.9_cuda10.0.yaml
 delete mode 100644 .conda_configs/python3.9_cuda10.1.yaml

diff --git a/.conda_configs/python3.7_cuda10.0.yaml b/.conda_configs/python3.7_cuda10.0.yaml
deleted file mode 100644
index 0027432..0000000
--- a/.conda_configs/python3.7_cuda10.0.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 100
-
-CUDA_VERSION:
-  - 10.0
diff --git a/.conda_configs/python3.7_cuda10.1.yaml b/.conda_configs/python3.7_cuda10.1.yaml
deleted file mode 100644
index 9cf961a..0000000
--- a/.conda_configs/python3.7_cuda10.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 101
-
-CUDA_VERSION:
-  - 10.1
diff --git a/.conda_configs/python3.8_cuda10.0.yaml b/.conda_configs/python3.8_cuda10.0.yaml
deleted file mode 100644
index 244435b..0000000
--- a/.conda_configs/python3.8_cuda10.0.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.8.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 100
-
-CUDA_VERSION:
-  - 10.0
diff --git a/.conda_configs/python3.8_cuda10.1.yaml b/.conda_configs/python3.8_cuda10.1.yaml
deleted file mode 100644
index c13d5c7..0000000
--- a/.conda_configs/python3.8_cuda10.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.8.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 101
-
-CUDA_VERSION:
-  - 10.1
diff --git a/.conda_configs/python3.9_cuda10.0.yaml b/.conda_configs/python3.9_cuda10.0.yaml
deleted file mode 100644
index bc8c055..0000000
--- a/.conda_configs/python3.9_cuda10.0.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.9.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 100
-
-CUDA_VERSION:
-  - 10.0
diff --git a/.conda_configs/python3.9_cuda10.1.yaml b/.conda_configs/python3.9_cuda10.1.yaml
deleted file mode 100644
index 03a273e..0000000
--- a/.conda_configs/python3.9_cuda10.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.9.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 101
-
-CUDA_VERSION:
-  - 10.1

From d44c7f68ecc05ed1925860749cab318dcecd9797 Mon Sep 17 00:00:00 2001
From: John Chodera <john.chodera@choderalab.org>
Date: Wed, 23 Mar 2022 20:55:02 -0700
Subject: [PATCH 03/13] Update default to CUDA 11.2

---
 recipes/openmm/meta.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/recipes/openmm/meta.yaml b/recipes/openmm/meta.yaml
index b80c7c9..289d0c5 100644
--- a/recipes/openmm/meta.yaml
+++ b/recipes/openmm/meta.yaml
@@ -23,7 +23,7 @@ source:
 extra:
   #upload: betacuda{{ CUDA_SHORT_VERSION }}{{ ",beta" if CUDA_SHORT_VERSION == "92" else ""}}
   #upload: devcuda{{ CUDA_SHORT_VERSION }}{{ ",dev" if CUDA_SHORT_VERSION == "92" else ""}}
-  upload: {{ CUDA_STR[1:] }}{{",main" if CUDA_STR[-3:] == "102" else "" }}
+  upload: {{ CUDA_STR[1:] }}{{",main" if CUDA_STR[-3:] == "112" else "" }}
   force_upload: True
   scheduled: True
 

From 4c3af7ab648421d8193acf3c5dd55401478b57d5 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Thu, 18 Aug 2022 11:00:01 -0700
Subject: [PATCH 04/13] bump ci


From 66879779b490e90e01bddae2896d03df0c151922 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 13:37:16 -0700
Subject: [PATCH 05/13] Remove old python versions

---
 .conda_configs/gen_confs.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.conda_configs/gen_confs.py b/.conda_configs/gen_confs.py
index 1ed9faf..c78d8c5 100644
--- a/.conda_configs/gen_confs.py
+++ b/.conda_configs/gen_confs.py
@@ -9,7 +9,7 @@
 import ruamel_yaml  # This gets installed with conda-build
 
 
-PYTHONS = ["3.7.* *_cpython", "3.8.* *_cpython", "3.9.* *_cpython"]
+PYTHONS = ["3.8.* *_cpython", "3.9.* *_cpython"]
 CUDAS = [10.2, 11.0, 11.1, 11.2]
 
 dumper_keys = {"indent": 4, "block_seq_indent": 2}

From 32441fff1a036b34f4e7972385f09660aa48064c Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 13:39:08 -0700
Subject: [PATCH 06/13] Remove old python versions

---
 .conda_configs/python3.7.yaml          | 2 --
 .conda_configs/python3.7_cuda10.2.yaml | 8 --------
 .conda_configs/python3.7_cuda11.0.yaml | 8 --------
 .conda_configs/python3.7_cuda11.1.yaml | 8 --------
 .conda_configs/python3.7_cuda11.2.yaml | 8 --------
 5 files changed, 34 deletions(-)
 delete mode 100644 .conda_configs/python3.7.yaml
 delete mode 100644 .conda_configs/python3.7_cuda10.2.yaml
 delete mode 100644 .conda_configs/python3.7_cuda11.0.yaml
 delete mode 100644 .conda_configs/python3.7_cuda11.1.yaml
 delete mode 100644 .conda_configs/python3.7_cuda11.2.yaml

diff --git a/.conda_configs/python3.7.yaml b/.conda_configs/python3.7.yaml
deleted file mode 100644
index 9720172..0000000
--- a/.conda_configs/python3.7.yaml
+++ /dev/null
@@ -1,2 +0,0 @@
-python:
-  - 3.7.* *_cpython
diff --git a/.conda_configs/python3.7_cuda10.2.yaml b/.conda_configs/python3.7_cuda10.2.yaml
deleted file mode 100644
index 77d085b..0000000
--- a/.conda_configs/python3.7_cuda10.2.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 102
-
-CUDA_VERSION:
-  - 10.2
diff --git a/.conda_configs/python3.7_cuda11.0.yaml b/.conda_configs/python3.7_cuda11.0.yaml
deleted file mode 100644
index 60fb9d3..0000000
--- a/.conda_configs/python3.7_cuda11.0.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 110
-
-CUDA_VERSION:
-  - 11.0
diff --git a/.conda_configs/python3.7_cuda11.1.yaml b/.conda_configs/python3.7_cuda11.1.yaml
deleted file mode 100644
index 6919088..0000000
--- a/.conda_configs/python3.7_cuda11.1.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 111
-
-CUDA_VERSION:
-  - 11.1
diff --git a/.conda_configs/python3.7_cuda11.2.yaml b/.conda_configs/python3.7_cuda11.2.yaml
deleted file mode 100644
index 79e85cf..0000000
--- a/.conda_configs/python3.7_cuda11.2.yaml
+++ /dev/null
@@ -1,8 +0,0 @@
-python:
-  - 3.7.* *_cpython
-
-CUDA_SHORT_VERSION:
-  - 112
-
-CUDA_VERSION:
-  - 11.2

From b9a9c032ba1c11ea195b385567d0a34fa1c0fab7 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 13:40:18 -0700
Subject: [PATCH 07/13] update readme

---
 README.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/README.md b/README.md
index cea7834..a29aa73 100644
--- a/README.md
+++ b/README.md
@@ -30,8 +30,8 @@ Default CUDA version is currently 11.0
 
 Python packages are built against:
 
-* Python 3.6, 3.7, 3.8, 3.9
-* CUDA 8.0, 9.0, 9.1, 9.2, 10.0, 10.1, 10.2, 11.0
+* Python 3.8, 3.9
+* CUDA 10.2, 11.0, 11.1 11.2
 * Linux-64, MacOS, Windows
 
 #### Adding new Python versions

From 56ca89674cca26129416122b30edd062aad07dc2 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 13:43:01 -0700
Subject: [PATCH 08/13] trim down matrix a ton

---
 .azure-pipelines/azure-pipelines-linux.yml   |  94 -----------------
 .azure-pipelines/azure-pipelines-osx.yml     |   3 -
 .azure-pipelines/azure-pipelines-windows.yml | 104 -------------------
 3 files changed, 201 deletions(-)

diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml
index b63322e..141d6a2 100644
--- a/.azure-pipelines/azure-pipelines-linux.yml
+++ b/.azure-pipelines/azure-pipelines-linux.yml
@@ -6,76 +6,6 @@ jobs:
     strategy:
       maxParallel: 8
       matrix:
-        linux_python3.7:
-          CONFIG: python3.7
-          DOCKER_IMAGE: condaforge/linux-anvil-comp7
-          EXCLUDE_JINJA: CUDA_STR
-        linux_python3.8:
-          CONFIG: python3.8
-          DOCKER_IMAGE: condaforge/linux-anvil-comp7
-          EXCLUDE_JINJA: CUDA_STR
-        linux_python3.9:
-          CONFIG: python3.9
-          DOCKER_IMAGE: condaforge/linux-anvil-comp7
-          EXCLUDE_JINJA: CUDA_STR
-
-        linux_python3.7_cuda8.0:
-          CONFIG: python3.7_cuda8.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:8.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda9.0:
-          CONFIG: python3.7_cuda9.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda9.1:
-          CONFIG: python3.7_cuda9.1
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.1"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda9.2:
-          CONFIG: python3.7_cuda9.2
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.2"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda10.0:
-          CONFIG: python3.7_cuda10.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda10.1:
-          CONFIG: python3.7_cuda10.1
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.1"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda10.2:
-          CONFIG: python3.7_cuda10.2
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.2"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.7_cuda11.0:
-          CONFIG: python3.7_cuda11.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cos7-cuda:11.0"
-          INCLUDE_JINJA: CUDA_STR
-
-        linux_python3.8_cuda8.0:
-          CONFIG: python3.8_cuda8.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:8.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.8_cuda9.0:
-          CONFIG: python3.8_cuda9.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.8_cuda9.1:
-          CONFIG: python3.8_cuda9.1
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.1"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.8_cuda9.2:
-          CONFIG: python3.8_cuda9.2
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.2"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.8_cuda10.0:
-          CONFIG: python3.8_cuda10.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.8_cuda10.1:
-          CONFIG: python3.8_cuda10.1
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.1"
-          INCLUDE_JINJA: CUDA_STR
         linux_python3.8_cuda10.2:
           CONFIG: python3.8_cuda10.2
           DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.2"
@@ -85,30 +15,6 @@ jobs:
           DOCKER_IMAGE: "omniamd/linux-anvil-cos7-cuda:11.0"
           INCLUDE_JINJA: CUDA_STR
 
-        linux_python3.9_cuda8.0:
-          CONFIG: python3.9_cuda8.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:8.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.9_cuda9.0:
-          CONFIG: python3.9_cuda9.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.9_cuda9.1:
-          CONFIG: python3.9_cuda9.1
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.1"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.9_cuda9.2:
-          CONFIG: python3.9_cuda9.2
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:9.2"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.9_cuda10.0:
-          CONFIG: python3.9_cuda10.0
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.0"
-          INCLUDE_JINJA: CUDA_STR
-        linux_python3.9_cuda10.1:
-          CONFIG: python3.9_cuda10.1
-          DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.1"
-          INCLUDE_JINJA: CUDA_STR
         linux_python3.9_cuda10.2:
           CONFIG: python3.9_cuda10.2
           DOCKER_IMAGE: "omniamd/linux-anvil-cuda:10.2"
diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml
index 2256eac..48c673b 100644
--- a/.azure-pipelines/azure-pipelines-osx.yml
+++ b/.azure-pipelines/azure-pipelines-osx.yml
@@ -6,9 +6,6 @@ jobs:
     strategy:
       maxParallel: 8
       matrix:
-        osx_python3.7:
-          CONFIG: python3.7
-          # EXCLUDE_JINJA: CUDA_STR
         osx_python3.8:
           CONFIG: python3.8
           # EXCLUDE_JINJA: CUDA_STR
diff --git a/.azure-pipelines/azure-pipelines-windows.yml b/.azure-pipelines/azure-pipelines-windows.yml
index c5fdf40..c8676fd 100644
--- a/.azure-pipelines/azure-pipelines-windows.yml
+++ b/.azure-pipelines/azure-pipelines-windows.yml
@@ -12,9 +12,6 @@ jobs:
     strategy:
       maxParallel: 8
       matrix:
-        windows_python3.7:
-          CONFIG: python3.7
-          EXCLUDE_JINJA: CUDA_STR
         windows_python3.8:
           CONFIG: python3.8
           EXCLUDE_JINJA: CUDA_STR
@@ -22,77 +19,6 @@ jobs:
           CONFIG: python3.9
           EXCLUDE_JINJA: CUDA_STR
 
-        windows_python3.7_cuda8.0:
-          CONFIG: python3.7_cuda8.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 8.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/8.0/Prod2/network_installers/cuda_8.0.61_win10_network-exe
-        windows_python3.7_cuda9.0:
-          CONFIG: python3.7_cuda9.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.0/Prod/network_installers/cuda_9.0.176_win10_network-exe
-        windows_python3.7_cuda9.1:
-          CONFIG: python3.7_cuda9.1
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.1
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.1/Prod/network_installers/cuda_9.1.85_win10_network
-        windows_python3.7_cuda9.2:
-          CONFIG: python3.7_cuda9.2
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.2
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.2/Prod2/network_installers2/cuda_9.2.148_win10_network
-        windows_python3.7_cuda10.0:
-          CONFIG: python3.7_cuda10.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/10.0/Prod/network_installers/cuda_10.0.130_win10_network
-        windows_python3.7_cuda10.1:
-          CONFIG: python3.7_cuda10.1
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.1
-          CUDA_URL: http://developer.download.nvidia.com/compute/cuda/10.1/Prod/network_installers/cuda_10.1.243_win10_network.exe
-        windows_python3.7_cuda10.2:
-          CONFIG: python3.7_cuda10.2
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.2
-          CUDA_URL: http://developer.download.nvidia.com/compute/cuda/10.2/Prod/network_installers/cuda_10.2.89_win10_network.exe
-        windows_python3.7_cuda11.0:
-          CONFIG: python3.7_cuda11.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 11.0
-          CUDA_URL: http://developer.download.nvidia.com/compute/cuda/11.0.3/network_installers/cuda_11.0.3_win10_network.exe
-
-        windows_python3.8_cuda8.0:
-          CONFIG: python3.8_cuda8.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 8.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/8.0/Prod2/network_installers/cuda_8.0.61_win10_network-exe
-        windows_python3.8_cuda9.0:
-          CONFIG: python3.8_cuda9.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.0/Prod/network_installers/cuda_9.0.176_win10_network-exe
-        windows_python3.8_cuda9.1:
-          CONFIG: python3.8_cuda9.1
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.1
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.1/Prod/network_installers/cuda_9.1.85_win10_network
-        windows_python3.8_cuda9.2:
-          CONFIG: python3.8_cuda9.2
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.2
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.2/Prod2/network_installers2/cuda_9.2.148_win10_network
-        windows_python3.8_cuda10.0:
-          CONFIG: python3.8_cuda10.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/10.0/Prod/network_installers/cuda_10.0.130_win10_network
-        windows_python3.8_cuda10.1:
-          CONFIG: python3.8_cuda10.1
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.1
-          CUDA_URL: http://developer.download.nvidia.com/compute/cuda/10.1/Prod/network_installers/cuda_10.1.243_win10_network.exe
         windows_python3.8_cuda10.2:
           CONFIG: python3.8_cuda10.2
           INCLUDE_JINJA: CUDA_STR
@@ -104,36 +30,6 @@ jobs:
           CUDA_VER: 11.0
           CUDA_URL: http://developer.download.nvidia.com/compute/cuda/11.0.3/network_installers/cuda_11.0.3_win10_network.exe
 
-        windows_python3.9_cuda8.0:
-          CONFIG: python3.9_cuda8.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 8.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/8.0/Prod2/network_installers/cuda_8.0.61_win10_network-exe
-        windows_python3.9_cuda9.0:
-          CONFIG: python3.9_cuda9.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.0/Prod/network_installers/cuda_9.0.176_win10_network-exe
-        windows_python3.9_cuda9.1:
-          CONFIG: python3.9_cuda9.1
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.1
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.1/Prod/network_installers/cuda_9.1.85_win10_network
-        windows_python3.9_cuda9.2:
-          CONFIG: python3.9_cuda9.2
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 9.2
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/9.2/Prod2/network_installers2/cuda_9.2.148_win10_network
-        windows_python3.9_cuda10.0:
-          CONFIG: python3.9_cuda10.0
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.0
-          CUDA_URL: https://developer.nvidia.com/compute/cuda/10.0/Prod/network_installers/cuda_10.0.130_win10_network
-        windows_python3.9_cuda10.1:
-          CONFIG: python3.9_cuda10.1
-          INCLUDE_JINJA: CUDA_STR
-          CUDA_VER: 10.1
-          CUDA_URL: http://developer.download.nvidia.com/compute/cuda/10.1/Prod/network_installers/cuda_10.1.243_win10_network.exe
         windows_python3.9_cuda10.2:
           CONFIG: python3.9_cuda10.2
           INCLUDE_JINJA: CUDA_STR

From 3b7ca6c92f35e28fcbe60e2741d4c9c676f3d9ef Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 13:44:46 -0700
Subject: [PATCH 09/13] oh I hope I removed python 3.7 correctly in
 conda_build_config.yaml

---
 conda_build_config.yaml | 2 --
 1 file changed, 2 deletions(-)

diff --git a/conda_build_config.yaml b/conda_build_config.yaml
index c7078d4..fe6f1a1 100644
--- a/conda_build_config.yaml
+++ b/conda_build_config.yaml
@@ -642,12 +642,10 @@ pybind11_abi:
   - 4
 python:
   # part of a zip_keys: python, python_impl, numpy
-  - 3.7.* *_cpython    # [not (osx and arm64)]
   - 3.8.* *_cpython
   - 3.9.* *_cpython
 python_impl:
   # part of a zip_keys: python, python_impl, numpy
-  - cpython   # [not (osx and arm64)]
   - cpython
   - cpython
 qt:

From bf63957404b8ef8cbe6d3053f4970fbca7cfefc5 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 14:48:23 -0700
Subject: [PATCH 10/13] update osx image

---
 .azure-pipelines/azure-pipelines-osx.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml
index 48c673b..d35b176 100644
--- a/.azure-pipelines/azure-pipelines-osx.yml
+++ b/.azure-pipelines/azure-pipelines-osx.yml
@@ -1,7 +1,7 @@
 jobs:
   - job: osx
     pool:
-      vmImage: macOS-10.14
+      vmImage: macOS-11
     timeoutInMinutes: 360
     strategy:
       maxParallel: 8

From 4c5e78627fb2720db19634192bdd6e405ac00903 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 14:49:05 -0700
Subject: [PATCH 11/13] update windows image

---
 .azure-pipelines/azure-pipelines-windows.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.azure-pipelines/azure-pipelines-windows.yml b/.azure-pipelines/azure-pipelines-windows.yml
index c8676fd..dc6811f 100644
--- a/.azure-pipelines/azure-pipelines-windows.yml
+++ b/.azure-pipelines/azure-pipelines-windows.yml
@@ -1,7 +1,7 @@
 jobs:
   - job: windows
     pool:
-      vmImage: vs2017-win2016
+      vmImage: windows-2022
     timeoutInMinutes: 360
     variables:
       NVIDIA_CUDA_DIR: $(Pipeline.Workspace)/.nvcuda

From cc41e0771f55b8b9bab9bfc67547a10150ed0685 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 15:58:41 -0700
Subject: [PATCH 12/13] see if this fixes linux builds

---
 recipes/openmm/meta.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/recipes/openmm/meta.yaml b/recipes/openmm/meta.yaml
index 289d0c5..c450a9a 100644
--- a/recipes/openmm/meta.yaml
+++ b/recipes/openmm/meta.yaml
@@ -46,6 +46,7 @@ requirements:
     - {{ compiler('c') }}
     - {{ compiler('cxx') }}
     - {{ cdt('mesa-libgl-devel') }}  # [linux]
+    - sysroot_linux-64  2.17  # [linux64]
     - cmake
     - make  # [unix]
     - jom  # [win]

From cc011c4242e3e01fc1b9a66049723f2482d2d806 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Fri, 19 Aug 2022 16:00:16 -0700
Subject: [PATCH 13/13] osx build needs yaml

---
 recipes/openmm/meta.yaml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/recipes/openmm/meta.yaml b/recipes/openmm/meta.yaml
index c450a9a..d0a2208 100644
--- a/recipes/openmm/meta.yaml
+++ b/recipes/openmm/meta.yaml
@@ -60,6 +60,7 @@ requirements:
     - numpy
     - cython
     - doxygen 1.8.14
+    - yaml
     # docs
     # - pydot
     # - sphinx