Bug 687920

Summary:	sci-chemistry/gromacs: allow to build with upstream default CFLAGS/CXXFLAGS
Product:	Gentoo Linux	Reporter:	Pacho Ramos <pacho>
Component:	Current packages	Assignee:	Alexey Shvetsov <alexxy>
Status:	RESOLVED FIXED
Severity:	normal	CC:	sci-chemistry
Priority:	Normal
Version:	unspecified
Hardware:	All
OS:	Linux
Whiteboard:
Package list:		Runtime testing required:	---

Description Pacho Ramos gentoo-dev

2019-06-12 10:30:32 UTC

I was compiling manually in an Ubuntu system the latest gromacs and I saw that upstream, by default, builds it with this flags:
src/buildinfo.h:#define BUILD_CFLAGS            "     -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  "
src/buildinfo.h:#define BUILD_CXXFLAGS          "    -std=c++11   -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  "


Maybe it would be interesting to support the compilation in this way too, with probably default custom-cflags USE on, and allowing people to manually use -O3 and co if wanted (it seems gromacs is ready for -O3 and even defaults to it if gcc >= 6)

Thanks!

Comment 1 Alexey Shvetsov archtester

2019-08-03 19:03:37 UTC

This is default behavior if CFLAGS and CXXFLAGS are unset

Comment 2 Pacho Ramos gentoo-dev

2019-08-05 08:33:16 UTC

And why don't rely on custom-cflags like other packages do (as Firefox for example) for more easily switch between upstream default flags or user ones? Needing to manually unset CFLAGS/CXXFLAGS doesn't look to obvious to me and not coherent with other packages allowing to switch between upstream vs user flags :/

Thanks

Comment 3 Larry the Git Cow gentoo-dev

2020-05-12 13:53:58 UTC

The bug has been closed via the following commit(s):

https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8143bb9df09da64ba58b9046cf3ced9a1e956e6f

commit 8143bb9df09da64ba58b9046cf3ced9a1e956e6f
Author:     Alexey Shvetsov <alexxy@gentoo.org>
AuthorDate: 2020-05-12 13:53:00 +0000
Commit:     Alexey Shvetsov <alexxy@gentoo.org>
CommitDate: 2020-05-12 13:53:15 +0000

    sci-chemistry/gromacs: Version bump to 2020.2
    
    Also added custom-cflags and fixed bash-completion
    
    Closes: https://bugs.gentoo.org/687920
    Closes: https://bugs.gentoo.org/711572
    Package-Manager: Portage-2.3.99, Repoman-2.3.22
    Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>

 sci-chemistry/gromacs/Manifest                     |  4 ++--
 ...acs-2020-r1.ebuild => gromacs-2020.1-r1.ebuild} | 24 +++++++++++++---------
 ...gromacs-2020.1.ebuild => gromacs-2020.2.ebuild} | 24 +++++++++++++---------
 3 files changed, 30 insertions(+), 22 deletions(-)