Issues with TOUGH3 compilation

Dear Kenny, 

thanks for this suggestion. With this, I was able to twist things and make TOUGH3 running on my machine incl. PETSC-/MPI-Support 😀

Best, Tobias.

ps. #######################################################################

Just in case someone cares:

the main problem was that my system was "too new" (using Ubuntu 26.04, Python 3.14, CMake 4.2.3), which leads to several incompatibilites. When building TOUGH there are SEVERAL CMakeLists.txt files, not only the one at top-level (i.e., in esd-tough3), in particular in the sources of METIS and AZTEC. All these start by checking whether the minimum requirement for CMake are met:

cmake_minimum_required(VERSION 2.8)

With a recent CMake (>4.X,), this fails, but changing the version in all relevant CMakeLists.txt files gets you going. However, every time I cleared my build (rm -r build/) and tried to rebuild, the problem returned: in the CMakeLists.txt for METIS and AZTEC, the VERSION is changed back to 2.8. And needs to be fixed again, but I am sure this can be fixed permanently relatively easily ...

This was sufficient to build TOUGH3 only without PETSC and/or MPI support. After trying a few things, I gave up on PETSC 3.26 and downgraded to 3.17. The package xdrlib is needed then, but it isn't available anymore with Python 3.13+. A workaround is to load the alternative package py-xdrlib

python -m pip install py-xdrlib

But there were still issues between PETSC 3.17 and OpenMPI 5.0.10. A first fix were two small edits in the PETSC's MPI configuration script (~/petsc-3.17.0/config/BuildSystem/config/packages/MPI.py). In the definition of configureMPI2, I replaced:

int a,b,c,d,flag,sendbuf[1]={1},recvbuf[1]={2};
# replace with -->
int a,b,c,d,flag,sendbuf[1]={1},recvbuf[1]={2},recvcounts[1]={1};

and also

if (MPI_Reduce_scatter(sendbuf,recvbuf,1,MPI_INT,MPI_SUM,MPI_COMM_WORLD)) return 0;
# replace with -->
if (MPI_Reduce_scatter(sendbuf,recvbuf,recvcounts,MPI_INT,MPI_SUM,MPI_COMM_WORLD)) return 0;

Next issue: Python 3.14 does not support the internal function "_parse_makefile" anymore.  I had to go to ~/petsc-3.17.0/config/gmakegen.py and replace the line 

from sysconfig import _parse_makefile as parse_makefile

with:

def parse_makefile(fn, out=None):
    if out is None:
        out = {}
    with open(fn) as f:
        for line in f:
            if "=" in line:
                key, value = line.split("=", 1)
                out[key.strip()] = value.strip()
    return out

Finally, one of the build-rules (MAKEFLAGS) in PETSC 3.17 was incompatible. To fix this, I had to go to ~/petsc-3.17.0/lib/petsc/rules and replace:

libs: ${PETSC_DIR}/${PETSC_ARCH}/lib/petsc/conf/files ${PETSC_DIR}/${PETSC_ARCH}/tests/testfiles
       +@cd ${PETSC_DIR} && MAKEFLAGS="-j$(MAKE_NP) -l$(MAKE_LOAD) $(MAKEFLAGS)" ${OMAKE_PRINTDIR} -f gmakefile ${MAKE_PAR_OUT_FLG} V=${V} libs

with

libs: ${PETSC_DIR}/${PETSC_ARCH}/lib/petsc/conf/files ${PETSC_DIR}/${PETSC_ARCH}/tests/testfiles
       +@cd ${PETSC_DIR} && MAKEFLAGS="-j$(MAKE_NP) -l$(MAKE_LOAD) $(filter-out w,$(MAKEFLAGS))" ${OMAKE_PRINTDIR} -f gmakefile ${MAKE_PAR_OUT_FLG} V=${V} libs

After this, I could rebuild PETSC:

cd ~/petsc-3.17.0
env -u MAKEFLAGS -u GNUMAKEFLAGS -u MFLAGS \
  /usr/bin/make --no-print-directory -j2 \
  PETSC_DIR=~/petsc-3.17.0 \
  PETSC_ARCH=arch-linux-openmpi-f all

And finally, build TOUGH3 including PETSC and MPI  (here for eos=eco2n, as an example):

cd ~/tough3-v112/esd-tough3
./configure.sh --build-type=RELEASE --eos=eco2n --no-x11 \
  --petsc-dir=~/petsc-3.17.0 \
  --petsc-arch=arch-linux-openmpi-f

There are surely better ways to doing this, but this one worked for me.