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path: root/sci-chemistry/gromacs/gromacs-9999.ebuild
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* sci-chemistry/gromacs: Add 2022_beta1Alexey Shvetsov2021-10-281-11/+5
| | | | | Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: revbump for subslot operator changesSam James2021-10-261-1/+1
| | | | | | | | | | Needed to have the changes apply. Also propagate the changes to the other ebuilds for consistency. Added to FFTW as well while at it. See: 7ad99109ba539795b0ca4ee887734b4930937679 Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changesPacho Ramos2021-10-261-1/+1
| | | | | | | Also fix hwloc dep for old gromacs Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gromacs: fix confusing indentationSam James2021-10-141-6/+6
| | | | Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: fix configure with -custom-cflagsSam James2021-10-141-1/+2
| | | | | | | | Need to default to AUTO and let it be overridden as appropriate later. Bug: https://bugs.gentoo.org/818055 Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: Needs to be rebuilt with hwlocPacho Ramos2021-08-251-1/+1
| | | | | Package-Manager: Portage-3.0.22, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gromacs: PYTHON_MULTI_USEDEP -> PYTHON_USEDEPDavid Seifert2021-07-171-2/+2
| | | | Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gromacs: Fix manual useAlexey Shvetsov2021-06-181-25/+36
| | | | | | Closes: https://bugs.gentoo.org/796497 Package-Manager: Portage-3.0.20, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Needs cuda_profiler_api.h to buildPacho Ramos2021-06-151-1/+1
| | | | | | | | | | | | | | | | | Otherwise it fails with: /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2/src/gromacs/ gpu_utils/gpu_utils.cu:50:10: fatal error: cuda_profiler_api.h: No such file or directory 50 | #include <cuda_profiler_api.h> | ^~~~~~~~~~~~~~~~~~~~~ compilation terminated. CMake Error at libgromacs_generated_gpu_utils.cu.o.Gentoo.cmake:222 (message): Error generating /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float/src/ gromacs/CMakeFiles/libgromacs.dir/gpu_utils/./libgromacs_generated_gpu_utils.cu.o Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gromacs: Fix pkgcheck errorAlexey Shvetsov2021-06-021-1/+1
| | | | | Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: fix cmake_src_make -> cmake_src_compileSam James2021-05-111-1/+1
| | | | | | cmake_src_make was removed in cmake.eclass. Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: Update patchesAlexey Shvetsov2021-04-231-2/+0
| | | | | Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: eutils--Sam James2021-04-161-1/+1
| | | | Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: fix variable referencesSam James2021-04-031-2/+2
| | | | | Package-Manager: Portage-3.0.14-prefix, Repoman-3.0.2 Signed-off-by: Sam James <sam@gentoo.org>
* */*: Remove obsolete values from PYTHON_COMPATMichał Górny2021-01-311-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: drop x86-macosFabian Groffen2021-01-061-2/+2
| | | | | Package-Manager: Portage-3.0.12, Repoman-3.0.2 Signed-off-by: Fabian Groffen <grobian@gentoo.org>
* sci-chemistry/gromacs: Update URI'sAlexey Shvetsov2020-11-111-5/+5
| | | | | | | | http://gerrit.gromacs.org will be dropped upstream. Main repo is on gitlab now Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-10-271-20/+29
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: added py39Alexey Shvetsov2020-10-141-1/+1
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Migrate cmake-utils -> cmakeAlexey Shvetsov2020-07-091-12/+12
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-1/+3
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* */*: Clean PYTHON_COMPAT of obsolete implsMichał Górny2020-01-051-1/+1
| | | | | Closes: https://github.com/gentoo/gentoo/pull/14246 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-01-021-12/+63
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix some pkgchek warningsAlexey Shvetsov2019-10-041-0/+2
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: http -> https for repo.or.czAlexey Shvetsov2019-06-031-3/+3
| | | | | | Closes: https://bugs.gentoo.org/682512 Package-Manager: Portage-2.3.67, Repoman-2.3.13 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Drop duplicate KEYWORDS lineAndreas Sturmlechner2018-10-281-1/+0
| | | | | Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* sci-chemistry/gromacs: New beta versionAlexey Shvetsov2018-10-231-5/+21
| | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* sci-chemistry/gromacs: Drop ~alpha ~ppc64 and ~sparcAlexey Shvetsov2018-10-221-1/+1
| | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.49, Repoman-2.3.11
* sci-chemistry/gromacs: Fix deps. Drop unnededAlexey Shvetsov2018-10-221-2/+2
| | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.49, Repoman-2.3.11
* sci-chemistry/gromacs: use HTTPS for GitHub and doc linksDavid Hicks2017-07-301-3/+3
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* Drop $Id$ per council decision in bug #611234.Robin H. Johnson2017-02-281-1/+0
| | | | Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
* sci-chemistry/gromacs: fix sandbox issue (bug #591952)Christoph Junghans2016-08-231-1/+3
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: re-enable testing (bug #591174)Christoph Junghans2016-08-171-2/+2
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: update live ebuildChristoph Junghans2016-07-171-1/+1
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: import live builds from sci overlayChristoph Junghans2016-07-131-0/+266
Package-Manager: portage-2.2.28