mirror of
https://gitlab.com/scemama/qmcchem.git
synced 2024-11-15 02:23:38 +01:00
32 lines
620 B
Bash
Executable File
32 lines
620 B
Bash
Executable File
#!/bin/bash
|
|
|
|
set -e
|
|
set -u
|
|
QMCCHEM_PATH=$PWD
|
|
mkdir -p "${QMCCHEM_PATH}"/bin
|
|
cd "${QMCCHEM_PATH}"/install
|
|
mkdir -p Downloads _build
|
|
|
|
cd "${QMCCHEM_PATH}"
|
|
|
|
if [[ ! -f make.config ]]
|
|
then
|
|
which ifort > /dev/null
|
|
if [[ $? ]]
|
|
then
|
|
cp make.config.ifort make.config
|
|
else
|
|
cp make.config.gfortran make.config
|
|
fi
|
|
fi
|
|
|
|
echo "====================================================================="
|
|
echo "Configuration OK."
|
|
echo "Now, source the qmcchemrc file and build the program:"
|
|
echo ""
|
|
echo "source qmcchemrc"
|
|
echo "make"
|
|
echo ""
|
|
echo "====================================================================="
|
|
|