direnv setting for building ProteinDF

dot.envrc

#!/bin/bash

# PDF_HOME
export PDF_HOME="${HOME}/local/ProteinDF.201704.GNU"
if [ x${PATH} != x ]; then
  PATH=${PATH}:${PDF_HOME}/bin
else
  PATH=${PDF_HOME}/bin
fi
export PATH

# PYTHONPATH
PYVER=`python -V 2>&1 | cut -d" " -f2 | cut -d"." -f1,2`
if [ x${PATH} != x ]; then
  PATH=${PATH}:${PDF_HOME}/bin
else
  PATH=${PDF_HOME}/bin
fi
export PATH
export PYTHONPATH=${PDF_HOME}/lib/python${PYVER}/site-packages

env_gnu()
{
  export CC=gcc
  export CXX=g++
  export FC=gfortran
  export MPI_CXX_COMPILER=/usr/bin/mpiCC

  export BLAS_LIBRARIES="-lblas -lgfortran"
  export LAPACK_LIBRARIES="-llapack"
  export SCALAPACK_LIBRARIES="-lscalapack-openmpi -lblacs-openmpi -lblacsCinit-openmpi -lblacsF77init-openmpi -lblacs-openmpi"
}

env_intel()
{
  source /opt/intel/compilers_and_libraries/linux/bin/compilervars.sh intel64

  export CC=icc
  export CXX=icpc
  export FC=ifort
  export MPI_C_COMPILER=mpiicc
  export MPI_CXX_COMPILER=mpiicpc

  export BLAS_LIBRARIES="-L${MKLROOT}/lib/intel64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl"
  export LAPACK_LIBRARIES="-L${MKLROOT}/lib/intel64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl"
  export SCALAPACK_LIBRARIES="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64"
}

env_pgi()
{
  export PGI=/opt/pgi
  export PATH=${PGI}/linux86-64/2017/bin:${PGI}/linux86-64/2017/mpi/openmpi/bin:${PATH}
  export LD_LIBRARY_PATH=${PGI}/linux86-64/2017/lib:${PGI}/linux86-64/2017/mpi/openmpi/lib:${LD_LIBRARY_PATH}

  export CC=pgcc
  export CXX=pgc++
  export FC=pgfortran

  export BLAS_LIBRARIES="-lblas -pgf90libs -mp"
  export LAPACK_LIBRARIES="-llapack -pgf90libs -mp"
  export SCALAPACK_LIBRARIES="${PGI}/linux86-64/2017/scalapack/scalapack-2.0.2/openmpi-1.10.2/lib/libscalapack.a"
}