Package Details: gamess 2020R2-3

Git Clone URL: https://aur.archlinux.org/gamess.git (read-only, click to copy)
Package Base: gamess
Description: The General Atomic and Molecular Electronic Structure System
Upstream URL: https://www.msg.chem.iastate.edu/gamess/gamess.html
Keywords: chemistry quantum
Licenses: custom
Submitter: budgerigar
Maintainer: budgerigar (a.kudelin, berquist)
Last Packager: a.kudelin
Votes: 3
Popularity: 0.000156
First Submitted: 2016-02-21 11:10
Last Updated: 2021-06-30 08:47

Latest Comments

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bcandido commented on 2021-05-31 20:17

There is a fix for this. It's been determined that tcsh-6.22.03 is the cause of the problem. Starting at line 120 in the comp script, the if; then statement messes up the path to the source file to be compiled. Apparently there is a change for tcsh-6.22.04 that should correct this

https://bbs.archlinux.org/viewtopic.php?pid=1975493#p1975493

bcandido commented on 2021-05-06 20:44

I'll add that I tried to build 2020R2 on Ubuntu 21.04 with:

tcsh 6.21, gfortran 10.3, make 4.3

It worked without any issues on Ubuntu 21.04. Doing the same under a fresh Arch install results in the sed error if I use this PKGBUILD. Without this PKGBUILD, the sed error is not present but the rest of the error starting from gfortran: error: libxc_empty: No such file or directory is still occurring. If I use the old ./compall method, the gfortran error similarly occurs for all modules.

I have also tried doing this in a clean chroot as well and the error persists

Thank you for looking into it

a.kudelin commented on 2021-05-06 20:11

Guys, are there any ideas why sed stopped working that suddenly?

bcandido commented on 2021-05-05 14:53

I downloaded the gamess-current.tar.gz from the website and they state the latest version as 2020R2 from September 30. I recently attempted to build this and I get a sed related error during make modules -j1

The exact error is:

sed: can't read libxc_empty: No such file or directory gfortran: error: libxc_empty: No such file or directory gfortran: fatal error: no input files compilation terminated unset echo Division by 0 make: *** [/home/User/Build/gamess/src/gamess/Makefile.in:99: /home/User/Build/gamess/src/gamess/object/libxc_empty.o] Error 1

Has something changed about the build tools since the last comment on 2020-11-15?

make 4.3 gcc-fortran 10.2 cmake 3.20.2 openblas 0.3.14-1 tcsh 6.22.03 python-jinja 2.11.3-2 python 3.9.4-1 inetutils 1.9.4-9

a.kudelin commented on 2020-11-22 13:10

@asakurahao, this was done. Please rebuild the package.

asakurahao commented on 2020-11-15 20:42

Dear, I need the blas package for another software and Gamess try to change it for openblas. Is there a way to install the openblas without lose the blas?

SamLukeYes commented on 2020-07-21 02:04

@Gemini

OK, I see.

Gemini commented on 2020-07-20 18:10

@SamLukeYes

They force us to get it at their website, to accept some kind of agreement, then send to you via email after evaluation. I believe this is explained somewhere in PKGBUILD. Once you get it, place it in the same directory before running pacman.

SamLukeYes commented on 2020-07-20 15:00

The PKGBUILD doesn't provide the URL of gamess-current.tar.gz. Where should I fetch it?

Gemini commented on 2020-04-05 18:00

@berquist You did! Thanks! :)

Now if only I had an interface to gamess, since they're also failing to install and their packagers/maintainers are not as efficient as you guys. Hopefully I'll get a reply to my comments soon. Again, thanks!