Package Details: ambertools 24.00-2

Git Clone URL: https://aur.archlinux.org/ambertools.git (read-only, click to copy)
Package Base: ambertools
Description: Biomolecular simulation package (tools only)
Upstream URL: http://ambermd.org/
Licenses: GPL-3.0-or-later AND LGPL-3.0-or-later AND BSD-3-Clause AND MIT
Submitter: dviktor
Maintainer: yitzi (vedranmiletic)
Last Packager: vedranmiletic
Votes: 2
Popularity: 0.000000
First Submitted: 2019-05-05 18:23 (UTC)
Last Updated: 2024-10-10 15:19 (UTC)

Pinned Comments

vedranmiletic commented on 2024-12-23 08:19 (UTC)

AmberTools currently fails to build with Python 3.13 due to pytraj build failure: https://github.com/Amber-MD/pytraj/issues/1677

vedranmiletic commented on 2024-09-24 06:19 (UTC)

Version is now upgraded to 24.

@sstac it seems that ParmEd is bundled with AmberTools, but that version is likely incompatible with Arch Linux's NumPy version: https://github.com/ParmEd/ParmEd/issues/1364 I will consider the options (patching bundled version vs providing a separate package), but I can't promise an ETA.

Latest Comments

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Maxwell23 commented on 2021-08-19 21:35 (UTC) (edited on 2021-08-19 21:38 (UTC) by Maxwell23)

Please help me. I get an error when trying to emerge AmberTools:

[ 35%] Built target cpptraj_common_obj

make: *** [Makefile:156: all] Error 2

What should I do?

dviktor commented on 2020-11-15 15:48 (UTC)

@asakurahao I have similar warnings but they shouldn't block xleap from running:

$ xleap
-I: Adding /opt/amber/dat/leap/prep to search path.
-I: Adding /opt/amber/dat/leap/lib to search path.
-I: Adding /opt/amber/dat/leap/parm to search path.
-I: Adding /opt/amber/dat/leap/cmd to search path.
Warning: Cannot convert string "-*-helvetica-medium-r-*-*-18-*-*-*-*-*-*-*" to type FontStruct
Warning: Cannot convert string "-*-helvetica-bold-r-*-14-*" to type FontStruct
Warning: Cannot convert string "-*-helvetica-medium-o-*-*-14-*-*-*-*-*-*-*" to type FontStruct
Warning: Cannot convert string "-*-courier-bold-r-*-*-14-*-*-*-*-*-*-*" to type FontStruct
Warning: Cannot convert string "-*-helvetica-medium-o-*-*-18-*-*-*-*-*-*-*" to type FontStruct
Warning: Cannot convert string "-*-courier-medium-r-*-*-14-*-*-*-*-*-*-*" to type FontStruct

To avoid these messages you can try to install one of the Xorg fonts

asakurahao commented on 2020-11-15 15:47 (UTC)

@dviktor Thanks, it works now!

dviktor commented on 2020-11-15 10:45 (UTC)

@asakurahao it seems like AMBER developers haven't published support patch. I've added one so re-download package and try again

asakurahao commented on 2020-11-14 23:11 (UTC)

@dviktor, It is working now, Thanks.

Now, I'm having problems with version of CUDA. "CUDA version 11.1 detected Error: Unsupported CUDA version. AMBER requires CUDA version >= 7.5 and <= 10.2."

How can I disable it or correct this problem?

dviktor commented on 2020-11-14 19:05 (UTC)

@asakurahao Yes, AMBER developers require that you download sources from their website. Then you should place them in the same directory where your downloaded PKGBUILD resides. After that just run makepkg

asakurahao commented on 2020-11-14 19:03 (UTC)

Dear,

When I try to install, the message is shown: Building ambertools... ==> Making package: ambertools 20-5 (Sat 14 Nov 2020 03:55:49 PM -03) ==> Checking runtime dependencies... ==> Checking buildtime dependencies... ==> Retrieving sources... ==> ERROR: AmberTools20.tar.bz2 was not found in the build directory and is not a URL. Failed to build ambertools

Looking in the source files, there is a "local://AmberTools20.tar.bz2". Should I download the software? If yes, where should I put it?

dviktor commented on 2019-09-19 12:53 (UTC)

@Gusten should be fixed now

Gusten commented on 2019-09-19 11:49 (UTC)

It appears that the md5sums for amber.sh and 19 need to be updated.

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