From d8d12357732e51c88c02c6f7731820e1b30266c6 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 14 Mar 2023 11:59:19 -0400
Subject: [PATCH] update MDI library version to 1.4.16

---
 cmake/Modules/Packages/MDI.cmake | 4 ++--
 examples/mdi/README              | 7 +++----
 lib/mdi/Install.py               | 4 +++-
 3 files changed, 8 insertions(+), 7 deletions(-)

diff --git a/cmake/Modules/Packages/MDI.cmake b/cmake/Modules/Packages/MDI.cmake
index 67c1b82dab..dc3af94a0a 100644
--- a/cmake/Modules/Packages/MDI.cmake
+++ b/cmake/Modules/Packages/MDI.cmake
@@ -8,8 +8,8 @@ option(DOWNLOAD_MDI "Download and compile the MDI library instead of using an al
 
 if(DOWNLOAD_MDI)
   message(STATUS "MDI download requested - we will build our own")
-  set(MDI_URL "https://github.com/MolSSI-MDI/MDI_Library/archive/v1.4.12.tar.gz" CACHE STRING "URL for MDI tarball")
-  set(MDI_MD5 "7a222353ae8e03961d5365e6cd48baee" CACHE STRING "MD5 checksum for MDI tarball")
+  set(MDI_URL "https://github.com/MolSSI-MDI/MDI_Library/archive/v1.4.16.tar.gz" CACHE STRING "URL for MDI tarball")
+  set(MDI_MD5 "407db44e2d79447ab5c1233af1965f65" CACHE STRING "MD5 checksum for MDI tarball")
   mark_as_advanced(MDI_URL)
   mark_as_advanced(MDI_MD5)
   GetFallbackURL(MDI_URL MDI_FALLBACK)
diff --git a/examples/mdi/README b/examples/mdi/README
index 4669b2febd..df373fb740 100644
--- a/examples/mdi/README
+++ b/examples/mdi/README
@@ -67,15 +67,14 @@ static library, while Python requires a shared library.
 
 Instead you can install MDI in your Python via conda:
 
-% conda install -c conda-forge pymdi=1.4.1
+% conda install -c conda-forge pymdi=1.4.16
 
 or via pip:
 
-% pip install pymdi==1.4.1
+% pip install 'pymdi>=1.4.14'
 
 It is likely fine to leave off the version number, to get the latest
-MDI version.  But to be safe, 1.4.1 is the version LAMMPS is currently
-using.
+MDI version.  1.4.16 is the version LAMMPS is currently using.
 
 -------------------------------------------------
 
diff --git a/lib/mdi/Install.py b/lib/mdi/Install.py
index faaf1b9f83..316313ded8 100644
--- a/lib/mdi/Install.py
+++ b/lib/mdi/Install.py
@@ -32,13 +32,15 @@ make lib-mdi args="-m mpi" # build MDI lib with same settings as in the mpi Make
 
 # settings
 
-version = "1.4.14"
+version = "1.4.16"
 url = "https://github.com/MolSSI-MDI/MDI_Library/archive/v%s.tar.gz" % version
 
 # known checksums for different MDI versions. used to validate the download.
 checksums = { \
               '1.4.11' : '3791fe5081405c14aac07d4687f1cc58', \
               '1.4.12' : '7a222353ae8e03961d5365e6cd48baee', \
+              '1.4.14' : '7a059bb12535360fdcb7de8402f9a0fc', \
+              '1.4.16' : '407db44e2d79447ab5c1233af1965f65', \
               }
 
 # print error message or help