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path: root/sci-chemistry/gromacs
Commit message (Expand)AuthorAgeFilesLines
* */*: make mycmakeargs localDavid Seifert2023-01-0315-39/+39
* sci-chemistry/gromacs: fix muParser depChristoph Junghans2022-12-245-5/+5
* sci-chemistry/gromacs: Fix manual buildAlexey Shvetsov2022-12-223-3/+3
* sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555Sam James2022-12-201-1/+1
* sci-chemistry/gromacs: Refuse to build with double + opencl enabledAlexey Shvetsov2022-12-2115-0/+15
* sci-chemistry/gromacs: remove mkl-10 hackAlexey Shvetsov2022-12-2115-75/+0
* sci-chemistry/gromacs: Make all uris httpsAlexey Shvetsov2022-12-2016-63/+127
* sci-chemistry/gromacs: Add 2023.x release seriesAlexey Shvetsov2022-12-204-4/+643
* sci-chemistry/gromacs: Fix pep517Alexey Shvetsov2022-12-207-7/+14
* sci-chemistry/gromacs: Add 2022.4 and fix pep517Alexey Shvetsov2022-12-204-6/+9
* sci-chemistry/gromacs: add 2021.6Alexey Shvetsov2022-09-152-0/+358
* sci-chemistry/gromacs: add 2022.3, drop 2022.1Alexey Shvetsov2022-09-152-4/+4
* sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388Arthur Zamarin2022-07-061-1/+1
* sci-chemistry/gromacs: Update 9999Alexey Shvetsov2022-07-041-1/+2
* sci-chemistry/gromacs: arm was dropped upstream since 2022.xAlexey Shvetsov2022-07-043-3/+6
* sci-chemistry/gromacs: eneble py3.11Alexey Shvetsov2022-07-044-4/+4
* sci-chemistry/gromacs: enable py3.11Alexey Shvetsov2022-07-042-2/+2
* sci-chemistry/gromacs: enable py3.11Alexey Shvetsov2022-07-041-1/+1
* sci-chemistry/gromacs: enable py3.11Alexey Shvetsov2022-07-041-1/+1
* sci-chemistry/gromacs: drop 2022Alexey Shvetsov2022-07-042-338/+0
* sci-chemistry/gromacs: add 2022.2Alexey Shvetsov2022-07-042-0/+338
* sci-chemistry/gromacs: Keyword 2022.1 arm, #834865Sam James2022-06-021-1/+1
* sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmpDavid Seifert2022-05-1412-36/+33
* sci-chemistry/gromacs: dropped unused eclassAlexey Shvetsov2022-04-282-2/+2
* sci-chemistry/gromacs: add 2022.1Alexey Shvetsov2022-04-282-0/+339
* sci-chemistry/gromacs: New releaseAlexey Shvetsov2022-02-223-33/+6
* sci-chemistry/gromacs: Fix build for muslAlexey Shvetsov2022-02-213-0/+29
* sci-chemistry/gromacs: Fix musl build (missing int64_t) for 2022Alexey Shvetsov2022-02-212-0/+27
* sci-chemistry/gromacs: Fix misspellingAlexey Shvetsov2022-02-161-1/+1
* sci-chemistry/gromacs: CleanupAlexey Shvetsov2022-02-162-354/+0
* sci-chemistry/gromacs: Fix gromacs citatonAlexey Shvetsov2022-02-1612-37/+25
* sci-chemistry/gromacs: Add missing inheritAlexey Shvetsov2022-02-162-2/+2
* sci-chemistry/gromacs: Drop unused eclassAlexey Shvetsov2022-02-166-9/+9
* sci-chemistry/gromacs: Drop non-exising blockerAlexey Shvetsov2022-02-163-5/+2
* sci-chemistry/gromacs: Allow to build with clangAlexey Shvetsov2022-02-162-1/+19
* sci-chemistry/gromacs: Stabilize 2021.3-r1 x86, #814101Jakov Smolić2022-02-141-2/+2
* sci-chemistry/gromacs: version bump for 2020.7Alexey Shvetsov2022-02-102-0/+355
* sci-chemistry/gromacs: remove unused patchMichael Mair-Keimberger2022-02-101-53/+0
* sci-chemistry/gromacs: Cleanup 2021 versionsAlexey Shvetsov2022-02-085-727/+3
* sci-chemistry/gromacs: there no mdrun_only builds with gromacs 2022Alexey Shvetsov2022-02-083-94/+10
* sci-chemistry/gromacs: rc1 addedAlexey Shvetsov2022-01-272-5/+5
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2022-01-272-0/+359
* sci-chemistry/gromacs: version bump to 2021.4Alexey Shvetsov2021-11-092-0/+359
* sci-chemistry/gromacs: fix v2019 build on newer glibcChristoph Junghans2021-11-072-0/+293
* sci-chemistry/gromacs: needs mpi[cxx]Sam James2021-11-043-3/+3
* sci-chemistry/gromacs: Fix depsAlexey Shvetsov2021-11-043-3/+3
* sci-chemistry/gromacs: Unbundle muParserAlexey Shvetsov2021-11-043-30/+27
* sci-chemistry/gromacs: Add 2022_beta1Alexey Shvetsov2021-10-284-11/+708
* sci-chemistry/gromacs: revbump for subslot operator changesSam James2021-10-268-12/+12
* sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changesPacho Ramos2021-10-265-7/+7