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* sci-chemistry/gromacs: Revert changes related to wcharAlexey Shvetsov2023-02-025-5/+5
| | | | | | This reverts commit b26ca4509f03b1cbf969c0735fefc98e2da3f5aa. Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: add 2021.7Alexey Shvetsov2023-02-022-0/+355
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: drop 2021.9999Andreas Sturmlechner2023-02-011-350/+0
| | | | | | No more development? Last commit happened two years ago. Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gromacs: drop versionsAlexey Shvetsov2023-01-306-1646/+0
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2021.6 arm, #887555Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2020.7 arm, #887553Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2019.6-r2 arm, #887551Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2021.6 x86, #887555Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2020.7 x86, #887553Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2020.7 amd64, #887553Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2019.6-r2 x86, #887551Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2019.6-r2 amd64, #887551Arthur Zamarin2023-01-281-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* */*: remove py3.8 from PYTHON_COMPATDavid Seifert2023-01-1412-12/+12
| | | | Signed-off-by: David Seifert <soap@gentoo.org>
* */*: make mycmakeargs localDavid Seifert2023-01-0315-39/+39
| | | | | Closes: https://github.com/gentoo/gentoo/pull/28947 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gromacs: fix muParser depChristoph Junghans2022-12-245-5/+5
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/gromacs: Fix manual buildAlexey Shvetsov2022-12-223-3/+3
| | | | | | Closes: https://bugs.gentoo.org/887611 Closes: https://bugs.gentoo.org/887683 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555Sam James2022-12-201-1/+1
| | | | Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: Refuse to build with double + opencl enabledAlexey Shvetsov2022-12-2115-0/+15
| | | | | | Closes: https://bugs.gentoo.org/873166 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: remove mkl-10 hackAlexey Shvetsov2022-12-2115-75/+0
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Make all uris httpsAlexey Shvetsov2022-12-2016-63/+127
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Add 2023.x release seriesAlexey Shvetsov2022-12-204-4/+643
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix pep517Alexey Shvetsov2022-12-207-7/+14
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Add 2022.4 and fix pep517Alexey Shvetsov2022-12-204-6/+9
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: add 2021.6Alexey Shvetsov2022-09-152-0/+358
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: add 2022.3, drop 2022.1Alexey Shvetsov2022-09-152-4/+4
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388Arthur Zamarin2022-07-061-1/+1
| | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org>
* sci-chemistry/gromacs: Update 9999Alexey Shvetsov2022-07-041-1/+2
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: arm was dropped upstream since 2022.xAlexey Shvetsov2022-07-043-3/+6
| | | | | | Closes: https://bugs.gentoo.org/844100 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: eneble py3.11Alexey Shvetsov2022-07-044-4/+4
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: enable py3.11Alexey Shvetsov2022-07-042-2/+2
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: enable py3.11Alexey Shvetsov2022-07-041-1/+1
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: enable py3.11Alexey Shvetsov2022-07-041-1/+1
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: drop 2022Alexey Shvetsov2022-07-042-338/+0
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: add 2022.2Alexey Shvetsov2022-07-042-0/+338
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Keyword 2022.1 arm, #834865Sam James2022-06-021-1/+1
| | | | Signed-off-by: Sam James <sam@gentoo.org>
* sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmpDavid Seifert2022-05-1412-36/+33
| | | | Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gromacs: dropped unused eclassAlexey Shvetsov2022-04-282-2/+2
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: add 2022.1Alexey Shvetsov2022-04-282-0/+339
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: New releaseAlexey Shvetsov2022-02-223-33/+6
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix build for muslAlexey Shvetsov2022-02-213-0/+29
| | | | | | | Closes: https://bugs.gentoo.org/828673 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix musl build (missing int64_t) for 2022Alexey Shvetsov2022-02-212-0/+27
| | | | | | Closes: https://bugs.gentoo.org/833599 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix misspellingAlexey Shvetsov2022-02-161-1/+1
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: CleanupAlexey Shvetsov2022-02-162-354/+0
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix gromacs citatonAlexey Shvetsov2022-02-1612-37/+25
| | | | | | Closes: https://bugs.gentoo.org/755254 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Add missing inheritAlexey Shvetsov2022-02-162-2/+2
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Drop unused eclassAlexey Shvetsov2022-02-166-9/+9
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Drop non-exising blockerAlexey Shvetsov2022-02-163-5/+2
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Allow to build with clangAlexey Shvetsov2022-02-162-1/+19
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Stabilize 2021.3-r1 x86, #814101Jakov Smolić2022-02-141-2/+2
| | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org>
* sci-chemistry/gromacs: version bump for 2020.7Alexey Shvetsov2022-02-102-0/+355
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>