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path: root/sci-chemistry/gromacs
Commit message (Expand)AuthorAgeFilesLines
* 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
* sci-chemistry/gromacs: fix confusing indentationSam James2021-10-143-18/+18
* sci-chemistry/gromacs: fix configure with -custom-cflagsSam James2021-10-143-3/+6
* sci-chemistry/gromacs: Stabilize 2021.3 arm, #814101Sam James2021-10-071-1/+1
* sci-chemistry/gromacs: Stabilize 2021.3 amd64, #814101Sam James2021-10-071-1/+1
* sci-chemistry/gromacs: Check patchesAlexey Shvetsov2021-09-151-6/+1
* sci-chemistry/gromacs: version bumpAlexey Shvetsov2021-09-152-0/+363
* **/metadata.xml: Replace http by https in DOCTYPE elementUlrich Müller2021-09-111-1/+1
* sci-chemistry/gromacs: Needs to be rebuilt with hwlocPacho Ramos2021-08-253-3/+3
* sci-chemistry/gromacs: PYTHON_MULTI_USEDEP -> PYTHON_USEDEPDavid Seifert2021-07-175-10/+10
* sci-chemistry/gromacs: Fix manual useAlexey Shvetsov2021-06-185-33/+52
* sci-chemistry/gromacs: drop oldAlexey Shvetsov2021-06-185-1424/+0
* sci-chemistry/gromacs: Allow to download manual instead of building itAlexey Shvetsov2021-06-1710-200/+279
* sci-chemistry/gromacs: Needs cuda_profiler_api.h to buildPacho Ramos2021-06-153-3/+3
* sci-chemistry/gromacs: Fix pkgcheck errorAlexey Shvetsov2021-06-0210-10/+10
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2021-06-022-0/+351
* sci-chemistry/gromacs: fix cmake_src_make -> cmake_src_compileSam James2021-05-1110-10/+10
* sci-chemistry/gromacs: remove ALLARCHESSam James2021-05-111-1/+0
* sci-chemistry/gromacs: Update patchesAlexey Shvetsov2021-04-2311-22/+97
* sci-chemistry/gromacs: eutils--Sam James2021-04-1610-10/+10
* sci-chemistry/gromacs: version bump to 2021.1Alexey Shvetsov2021-04-122-0/+348
* sci-chemistry/gromacs: version bump to 2020.6Alexey Shvetsov2021-04-122-0/+344
* sci-chemistry/gromacs: fix variable referencesSam James2021-04-036-12/+12