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improve consistency between CMake and GNU make build. Must explicitly link python when building a static mdi lib

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This commit is contained in:
Axel Kohlmeyer
2022-06-30 15:45:52 -04:00
parent d1d51636a7
commit e34e9aca48
7 changed files with 15 additions and 29 deletions
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3
cmake/Modules/Packages/MDI.cmake
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@ -44,7 +44,7 @@ if(DOWNLOAD_MDI)
ExternalProject_Add(mdi_build
URL ${MDI_URL}
URL_MD5 ${MDI_MD5}
CMAKE_ARGS ${CMAKE_REQUEST_PIC}
CMAKE_ARGS
-DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
@ -54,6 +54,7 @@ if(DOWNLOAD_MDI)
-Dlanguage=C
-Dlibtype=STATIC
-Dmpi=${MDI_USE_MPI}
-Dplugins=ON
-Dpython_plugins=${MDI_USE_PYTHON_PLUGINS}
UPDATE_COMMAND ""
INSTALL_COMMAND ""

9
examples/mdi/README
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@ -2,10 +2,11 @@ These are examples that work the MDI package in LAMMPS which uses the
MolSSI MDI library for coupling codes together and communicating
between them with MDI messages.
In MDI lingo, one code is the driver and another code is the engine.
The 2 codes can be written in any language; C++ (LAMMPS) and Python
are illustrated here. The 2 codes can each be stand-alone codes, in
which case they can be run on different numbers of processors. The 2
Within the MDI context, one code is the driver and another code is
the engine. The 2 codes can be written in any language; C++ (LAMMPS)
and Python are illustrated here. The 2 codes can each be stand-alone
codes, in which case they can be run on different numbers of processors.
The 2
codes can communicate either via TCP (sockets) or via MPI. For the
TCP case, the driver and engine need to be launched separately,
e.g. in 2 windows on your desktop machine. For the MPI case, a single

18
lib/mdi/Makefile.g++
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@ -1,18 +0,0 @@
SHELL = /bin/sh
# which file will be copied to Makefile.lammps
EXTRAMAKE = Makefile.lammps.empty
# ------ MAKE PROCEDURE ------
lib: $(OBJ)
mkdir -p build
cd build; cmake -Dlibtype=STATIC -Dlanguage=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D CMAKE_C_COMPILER=gcc -D CMAKE_CXX_COMPILER=g++ ../MDI_Library; make
@cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------
clean:
-rm *.o *.h $(LIB)
-rm -r build

2
lib/mdi/Makefile.gcc
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
lib: $(OBJ)
mkdir -p build
cd build; cmake -Dlibtype=STATIC -Dlanguage=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D CMAKE_C_COMPILER=gcc ../MDI_Library; make
cd build && cmake -D libtype=STATIC -D language=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D mpi=ON -D plugins=ON -D python_plugins=ON -D CMAKE_C_COMPILER=gcc ../MDI_Library && make
@cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------

2
lib/mdi/Makefile.icc
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
lib: $(OBJ)
mkdir -p build
cd build; cmake -Dlibtype=STATIC -Dlanguage=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D CMAKE_C_COMPILER=icc -D CMAKE_CXX_COMPILER=icpc ../MDI_Library; make
cd build && cmake -D libtype=STATIC -D language=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D mpi=ON -D plugins=ON -D python_plugins=ON -D CMAKE_C_COMPILER=icc ../MDI_Library && make
@cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------

8
lib/mdi/Makefile.lammps.empty
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@ -1,5 +1,7 @@
# Settings that the LAMMPS build will import when this package library is used
mdi_SYSINC =
mdi_SYSLIB =
mdi_SYSPATH =
mdi_python_SYSLIB = $(shell which python3-config > /dev/null 2>&1 && python3-config --ldflags --embed > /dev/null 2>&1 && python3-config --ldflags --embed || (which python3-config > /dev/null 2>&1 && python3-config --ldflags || :) )
mdi_SYSINC =
mdi_SYSLIB = $(mdi_python_SYSLIB)
mdi_SYSPATH =

2
lib/mdi/Makefile.mpi
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@ -8,7 +8,7 @@ EXTRAMAKE = Makefile.lammps.empty
lib: $(OBJ)
mkdir -p build
cd build; cmake -Dlibtype=STATIC -Dlanguage=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D CMAKE_C_COMPILER=mpicc -D CMAKE_CXX_COMPILER=mpicxx ../MDI_Library; make
cd build && cmake -D libtype=STATIC -D language=C -D CMAKE_POSITION_INDEPENDENT_CODE=yes -D mpi=ON -D plugins=ON -D python_plugins=ON -D CMAKE_C_COMPILER=mpicc ../MDI_Library && make
@cp $(EXTRAMAKE) Makefile.lammps
# ------ CLEAN ------