[DFTB-Plus-User] Bug in src/Makefile.common; Feature Request: Pass Arbitrary Input File

EISUKE KAWASHIMA kawashima+dftbplus at g.ecc.u-tokyo.ac.jp
Thu Dec 22 13:54:02 CET 2016

Dear DFTB+ developers,

1. Bug in src/Makefile.common
make install command is defined in dftbplus-1.3.0/src/Makefile.common and
dftb+.mpi-r4473/src/Makefile.common as

install: $(TARGETS)
        chmod a+x $^
        cp -p $^ $(INSTALLDIR)

This just copies binary to the $(INSTALLDIR), which causes error when the
directory does not exist.
make install should create $(INSTALLDIR) before the copy, like
        install -d -m 755 $(INSTALLDIR)

2. Feature Request: Pass Arbitrary Input File
Currently dftb+ seems to accept no arguments and executes only dftb_in.hsd
or dftb_in.xml on the current working directory;
dftb+ raises error if the directory has both of hsd and xml.
It is convenient if dftb+ accepts an input on other directory or one with
different name,
like dftb+ /path/to/dftb_in2.hsd.
I appreciate if you implement it.

Best Regards,

Eisuke Kawashima
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