aamaricci / dmfttools Goto Github PK

Is it possible to fix custom installation directory? Currently CMAKE_INSTALL_PREFIX is ignored altogether, and port configures with:

-- Version file: /opt/local/var/macports/build/_opt_PPCRosettaPorts_science_DMFTtools/DMFTtools/work/build/etc/modules/dmft_tools/gnu/.version
-- Module file: dmft_tools/gnu/2.2.3
-- Library version: 2.2.3
-- Library will be installed in: /opt/local/var/macports/build/_opt_PPCRosettaPorts_science_DMFTtools/DMFTtools/work/.home/opt/dmft_tools/gnu/2.2.3

Which obviously cannot work.

Hey everyone,
I noticed that currently the the behaviour of TB_get_bk and TB_get_ei in TB_BASIS.f90 is to call TB_reciprocal_basis without checking if bk or ei where already set by the user. In my eyes, this is a quit unintuitive behaviour. Also it can potentially result in bugs when only one of the values was set by the user and then for what reason ever the user makes a call to TB_get_xx (where xx is the basis the user already set). This then would return the reciprocal of the default basis and not the user set basis. I think the least intrusive way to fix this would be to place a warning. Of course this does not prevent the user to introduce a bug in his/her code. For that I would either raise an error and leave the current behaviour or: check wether the basis was already set. If so return it. If not check whether the other basis was set. If so calculate new basis. If not through an error.
Best, Sever