Software changes

Correctness fixes

• Conda now uses conda activate and conda install --name, with a batch-safe shell hook.
• The CUDA section distinguishes the driver capability shown by nvidia-smi from the loaded toolkit shown by nvcc.
• Gaussian resource declarations match its input; scheduler-provided local scratch is preferred, and node targeting is removed.
• Broad -march=native and -ffast-math recommendations were replaced by portable, reproducible compiler guidance.
• The LAMMPS batch script has valid #SBATCH directives and no longer loads conflicting GCC/OpenMPI modules after the application module.

Structural changes

Long historical module avail dumps and fixed module versions were replaced by module spider discovery. Added Python venv, coherent MPI stacks, MATLAB batch mode, containers, secure Git authentication and a structured software-request checklist.

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