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use new version of MDI lib and include Python support

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This commit is contained in:
Steve Plimpton
2022-06-21 15:03:22 -06:00
parent 06ffed1965
commit f4342ea7e4
4 changed files with 4 additions and 4 deletions
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2
lib/mdi/Install.py
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@ -34,7 +34,7 @@ make lib-meam args="-m ifort" # build MEAM lib with custom Makefile.ifort (usi
# settings # settings
version = "1.3.2" version = "1.4.1"
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.

2
lib/mdi/Makefile.gcc
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
lib: $(OBJ) lib: $(OBJ)
mkdir -p build mkdir -p build
cd build; cmake -Dlibtype=SHARED -Dlanguage=C -D CMAKE_C_COMPILER=gcc ../MDI_Library; make cd build; cmake -Dlibtype=SHARED -D CMAKE_C_COMPILER=gcc ../MDI_Library; make
@cp $(EXTRAMAKE) Makefile.lammps @cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------ # ------ CLEAN ------

2
lib/mdi/Makefile.icc
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
lib: $(OBJ) lib: $(OBJ)
mkdir -p build mkdir -p build
cd build; cmake -Dlibtype=SHARED -Dlanguage=C -D CMAKE_C_COMPILER=icc -D CMAKE_CXX_COMPILER=icc ../MDI_Library; make cd build; cmake -Dlibtype=SHARED -D CMAKE_C_COMPILER=icc -D CMAKE_CXX_COMPILER=icc ../MDI_Library; make
@cp $(EXTRAMAKE) Makefile.lammps @cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------ # ------ CLEAN ------

2
lib/mdi/Makefile.mpi
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
lib: $(OBJ) lib: $(OBJ)
mkdir -p build mkdir -p build
cd build; cmake -Dlibtype=SHARED -Dlanguage=CXX -D CMAKE_C_COMPILER=mpicc -D CMAKE_CXX_COMPILER=mpicxx ../MDI_Library; make cd build; cmake -Dlibtype=SHARED -D CMAKE_C_COMPILER=mpicc -D CMAKE_CXX_COMPILER=mpicxx ../MDI_Library; make
@cp $(EXTRAMAKE) Makefile.lammps @cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------ # ------ CLEAN ------