ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update MDI library version to 1.4.16

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

4
cmake/Modules/Packages/MDI.cmake
View File

@ -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)

7
examples/mdi/README
View File

@ -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.
-------------------------------------------------

4
lib/mdi/Install.py
View File

@ -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