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update MDI library version to 1.4.16

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This commit is contained in:
Axel Kohlmeyer
2023-03-14 11:59:19 -04:00
parent ac848c91e9
commit d8d1235773
3 changed files with 8 additions and 7 deletions
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4
cmake/Modules/Packages/MDI.cmake
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@ -8,8 +8,8 @@ option(DOWNLOAD_MDI "Download and compile the MDI library instead of using an al
if(DOWNLOAD_MDI) if(DOWNLOAD_MDI)
message(STATUS "MDI download requested - we will build our own") 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_URL "https://github.com/MolSSI-MDI/MDI_Library/archive/v1.4.16.tar.gz" CACHE STRING "URL for MDI tarball")
set(MDI_MD5 "7a222353ae8e03961d5365e6cd48baee" CACHE STRING "MD5 checksum for MDI tarball") set(MDI_MD5 "407db44e2d79447ab5c1233af1965f65" CACHE STRING "MD5 checksum for MDI tarball")
mark_as_advanced(MDI_URL) mark_as_advanced(MDI_URL)
mark_as_advanced(MDI_MD5) mark_as_advanced(MDI_MD5)
GetFallbackURL(MDI_URL MDI_FALLBACK) GetFallbackURL(MDI_URL MDI_FALLBACK)

7
examples/mdi/README
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@ -67,15 +67,14 @@ static library, while Python requires a shared library.
Instead you can install MDI in your Python via conda: 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: 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 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 MDI version. 1.4.16 is the version LAMMPS is currently using.
using.
------------------------------------------------- -------------------------------------------------

4
lib/mdi/Install.py
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@ -32,13 +32,15 @@ make lib-mdi args="-m mpi" # build MDI lib with same settings as in the mpi Make
# settings # settings
version = "1.4.14" version = "1.4.16"
url = "https://github.com/MolSSI-MDI/MDI_Library/archive/v%s.tar.gz" % version 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. # known checksums for different MDI versions. used to validate the download.
checksums = { \ checksums = { \
'1.4.11' : '3791fe5081405c14aac07d4687f1cc58', \ '1.4.11' : '3791fe5081405c14aac07d4687f1cc58', \
'1.4.12' : '7a222353ae8e03961d5365e6cd48baee', \ '1.4.12' : '7a222353ae8e03961d5365e6cd48baee', \
'1.4.14' : '7a059bb12535360fdcb7de8402f9a0fc', \
'1.4.16' : '407db44e2d79447ab5c1233af1965f65', \
} }
# print error message or help # print error message or help