From f4342ea7e40feaa7196ab8bbd01d54a3b7fd7dcc Mon Sep 17 00:00:00 2001 From: Steve Plimpton Date: Tue, 21 Jun 2022 15:03:22 -0600 Subject: [PATCH] use new version of MDI lib and include Python support --- lib/mdi/Install.py | 2 +- lib/mdi/Makefile.gcc | 2 +- lib/mdi/Makefile.icc | 2 +- lib/mdi/Makefile.mpi | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/lib/mdi/Install.py b/lib/mdi/Install.py index a439da34d2..48d4952f9b 100644 --- a/lib/mdi/Install.py +++ b/lib/mdi/Install.py @@ -34,7 +34,7 @@ make lib-meam args="-m ifort" # build MEAM lib with custom Makefile.ifort (usi # settings -version = "1.3.2" +version = "1.4.1" 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. diff --git a/lib/mdi/Makefile.gcc b/lib/mdi/Makefile.gcc index ef8a96f5ad..a67209202b 100644 --- a/lib/mdi/Makefile.gcc +++ b/lib/mdi/Makefile.gcc @@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty lib: $(OBJ) 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 # ------ CLEAN ------ diff --git a/lib/mdi/Makefile.icc b/lib/mdi/Makefile.icc index d70ff28f97..eac6ba087f 100644 --- a/lib/mdi/Makefile.icc +++ b/lib/mdi/Makefile.icc @@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty lib: $(OBJ) 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 # ------ CLEAN ------ diff --git a/lib/mdi/Makefile.mpi b/lib/mdi/Makefile.mpi index cff60f5e0b..0a40520c95 100644 --- a/lib/mdi/Makefile.mpi +++ b/lib/mdi/Makefile.mpi @@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty lib: $(OBJ) 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 # ------ CLEAN ------