Dr. Vedran Miletić, principal investigator
"Ideas are organic entities," someone has said. The very fact of their birth endows them with form, and that form is action. He in whose brain the most ideas are born accomplishes the most. From that cause a genius, chained to an official desk, must die or go mad, just as it often happens that a man of powerful constitution, and at the same time of sedentary life and simple habits, dies of an apoplectic stroke.
Passions are naught but ideas in their first development; they are an attribute of the youth of the heart, and foolish is he who thinks that he will be agitated by them all his life. Many quiet rivers begin their course as noisy waterfalls, and there is not a single stream which will leap or foam throughout its way to the sea. That quietness, however, is frequently the sign of great, though latent, strength. The fulness and depth of feelings and thoughts do not admit of frenzied outbursts.
-- A Hero of Our Time by Mikhail Iurevich Lermontov
Dr. Vedran Miletić is the principal investigator of the Group for Applications and Services on Exascale Research Infrastructure (GASERI) and an assistant professor of computer science at Faculty of Informatics and Digital Technology, University of Rijeka. More information is available in his curriculum vitae.
Research
Present research
The focus of my research work is heterogeneous, parallel, and distributed computing on high performance computers and in the cloud for computational chemistry applications. Presently, I am collaborating with Martina Ašenbrener Katić on research of distributed chemical compound database architectures that meet the scalability and reliability requirements of high-throughput virtual screening campaigns.
Past research
I was a postdoctoral researcher in professor Frauke Gräter's Molecular Biomechanics (MBM) group at Heidelberg Institute for Theoretical Studies (HITS). I was researching efficient ways to simulate breaking and formation of disulfide bonds in proteins as well as participating in development of free and open source software we used. Our developments can be found on GitHub.
I was also a postdoctoral researcher under the supervision of professor Mario Radovan at University of Rijeka Department of Informatics. I collaborated with assistant professor Željko Svedružić's Biomolecular Structure and Function (BioSF) Group at Department of Biotechnology. I was studying molecular modelling of biomolecules. I was concentrated on investigating reaction dynamics of protein–ligand interactions with molecular dynamics and nudged elastic band methods using quantum chemistry and QM/MM approaches.
I have done my PhD work under the supervision of professor Branko Mikac (retd.) at University of Zagreb Faculty of Electrical Engineering and Computing (FER) Department of Telecommunications. My PhD research work has been focused on evaluation of optical telecommunication network reliability and availability using Monte Carlo method and optimization of routing and wavelength assignment. Additionally, I was focused on parallel execution of network simulation software.
Development
I am leading the development of RxDock, a fork of rDock protein–ligand docking software developed at RxTx Research (in collaboration with Patrik Nikolić). (Feel free to contact me if you want to contribute to the project in any way.)
I am developing extensions and modifications of GROMACS molecular dynamics simulator in a number of different directions, but all designed with upstreaming in mind. Among others, I'm working on sliced pull and conditional stop. (Feel free to contact me with any questions or ideas.)
I was one of the developers of ns-3 network simulator. In particular, I was a developer of optical telecommunication network model called Photonic WDM Network Simulator (PWNS) (source code available on request; detailed description of the feature functionality is available in my PhD thesis).
Among other projects, I have contributed patches to LLVM and Mesa (part of Radeon open source Linux driver development effort), CP2K, LaTeX Beamer class, and others (detailed summary of my contributions can be found on OpenHub). Prior to contributing code to open source projects, I was a tester and web standards advocate for Mozilla and also tester and support for kX Project, an alternative driver for Sound Blaster Live! and Audigy cards developed to expand the potential of the EMU10kX DSPs.
I follow the development of tools such as NEPI/NEF/NETNS, IMUNES/CORE, OpenFlow, NDN, CUB, Modern GPU, NVBIO, and UGENE.
Teaching
At Faculty of Informatics and Digital Technology (formerly Department of Informatics) I teach the following courses (teaching materials are available on GitHub under CC-BY-SA 4.0 license):
- Computer Networks (TA: Matea Turalija)
- Security of Information and Communication Systems (only TA)
- Code Optimization for YUFE students
- Web Programming (TA: Milan Petrović)
- Communication Networks
- Network and Mobile Operating Systems (only TA)
- Computer System Administration (only TA)
- Supercomputer Systems
- Network Systems Management
I taught Dynamic Web Applications 2 (TA: Milan Petrović) until 2021, Computer Networks 1 and Computer Networks 2 until 2020, since inherting the courses from professor Mario Radovan (retd.). I TA'd Parallel Programming on Heterogeneous Systems (developed from 2012. to 2016. in partnernship with NVIDIA under GPU Education Center (formerly CUDA Teaching Center) Program) and Distributed Systems until 2021, Operating Systems 2 until 2020, Operating Systems 1 until 2012, and Educational System Design until 2011, all courses instructed by professor Božidar Kovačić.
At Faculty of Engineering I TA'd Computer Networks course on undergraduate level in 2013 and 2014, instructed by professor Mladen Tomić. At Department of Biotechnology I TA'd Informatics in 2009 and taught it in 2019, 2020, and 2021.
Activism
I am a member of the Committee for Supercomputing Resources at University of Rijeka that is directing the activities of Centre for Advanced Computing and Modelling (CNRM) and supporting the users of the Bura supercomputer.
As a coordinator of the local Linux user group (LUG) HULK Rijeka, I regularly advocate for the usage and development of free and open source software (FOSS). In particular, we are organizing the observances of Document Freedom Day on a regular basis, where we promote the usage of LibreOffice, an open source office suite, and OpenDocument, an open standard format for office documents.
Finally, I stand for individual freedom which is constantly under threat from pervasive surveillance and unrestrained authoritarian governments. I appreciate and support the work of Electronic Frontier Foundation in this area.
Projects
Present projects
- DPU offload of force reduction calculations in molecular dynamics simulations, funded by NVIDIA, timeframe 2022–2024
- EuroCC – National Competence Centres in the framework of EuroHPC, funded by Horizon 2020, timeframe 2020–2022
Past projects
- Development of the Code Optimization online course for YUFE virtual campus, funded by the University of Rijeka, timeframe 2020–2022
- Modernization, modularization, and active maintenance of RxDock, a fast, versatile, and open-source program for docking ligands to proteins and nucleic acids, funded by RxTx Research, timeframe 2019–2022
- Biochemistry on a supercomputer: development of new software, drug-design, and analysis of disease development on molecular level (reference number uniri-prirod-18-132), funded by the University of Rijeka, timeframe 2019–2021
- Development of the International Education Program Veleri-OI IoT School, funded by European Social Fund, timeframe 2018–2021
- Mechano(bio)chemistry, funded by various sources including German Research Foundation, Klaus Tschira Foundation, Heidelberg Institute for Theoretical Studies, and University of Heidelberg, timeframe 2014–2018
- The development and commercialization of human DNA methyltransferase Dnmt1 inhibitor with a goal to reprogram functional organization of the genome of human cells (reference number 13.11.1.2.04), funded by University of Rijeka, timeframe 2014–2018
- Recommender system for computer aided learning (ELARS) (reference number 13.13.1.3.05), funded by University of Rijeka, timeframe 2014–2018; continuation of Computer supported education (reference number 036-0361983-2019), funded by MZOS, timeframe 2007–2013
- RFID (Internet of Things) based animal individual behavior intelligent identification technology and application in traceability (REMALLOY), funded by MZOS, timeframe 2014–2016
- Establishment of the GPU Education Center (formerly CUDA Teaching Center) at the University of Rijeka, funded by NVIDIA, timeframe 2012–2016
- Development of the Photonic (formerly Prototype) WDM Network Simulator (PWNS), no external funding, timeframe 2012–2014
- Development of e-learning materials for Computer Networks 2 course, funded by University of Rijeka, timeframe 2012
- Building the Future Optical Network in Europe: The e-Photon/ONe Network, funded by FP7, timeframe 2008–2011
- Supporting e-Business by Distance Learning System Based on Dialogue (reference number 009-0362027-1331), funded by MZOS, timeframe 2007–2013
Publications and presentations
Books and theses
- PhD thesis: Method for optimizing availability of optical telecommunication network in presence of correlated failures. Defended at Department of Telecommunications, Faculty of Electrical Engineering and Computing, University of Zagreb, 8th June 2015.
- Master thesis: Banach algebras. Defended at Department of Mathematics, Faculty of Arts and Sciences, University of Rijeka on 17th March 2009.
Book chapters
- Nikolić, P., Miletić, V., Odorčić, I. & Svedružić, Ž. M. In Silico Optimization of the First DNA-Independent Mechanism-Based Inhibitor of Mammalian DNA Methyltransferase DNMT1. Epi-Informatics 113–153 (2016). doi:10.1016/B978-0-12-802808-7.00005-8
Research papers in journals
- Saftić Martinović, L., Birkić, N., Miletić, V., Antolović, R., Štanfel, D. & Wittine, K. Antioxidant Activity, Stability in Aqueous Medium and Molecular Docking/Dynamics Study of 6-Amino- and N-Methyl-6-amino-L-ascorbic Acid. Int. J. Mol. Sci. 24(2), 1410 (2023). doi:10.3390/ijms24021410 (WoS-SCIE, Q1 (2021), JIF: 6.208 (2021))
- Svedružić, Ž. M, Vrbnjak, K., Martinović, M. & Miletić, V. Structural Analysis of the Simultaneous Activation and Inhibition of γ-Secretase Activity in the Development of Drugs for Alzheimer's Disease. Pharmaceutics 13(4), 514 (2021). doi:10.3390/pharmaceutics13040514 (WoS-SCIE, Q1, JIF: 6.525; times cited: 3)
- Herrera-Rodríguez, A., Miletić, V., Aponte-Santamaría, C. & Gräter, F. Molecular dynamics simulations of molecules in uniform flow. Biophys. J. 116(6), 621–632 (2019). doi:10.1016/j.bpj.2018.12.025 (WoS-SCIE, Q1, JIF: 3.854; times cited: 7)
- Franz, F., Aponte-Santamaría, C., Daday, C., Miletić, V. & Gräter, F. Stability of Biological Membranes upon Mechanical Indentation. J. Phys. Chem. B 122(28), 7073–7079 (2018). doi:10.1021/acs.jpcb.8b01861 (WoS-SCIE, Q2, JIF: 2.923; times cited: 3)
- Miletić, V., Odorčić, I., Nikolić, P. & Svedružić, Ž. M. In silico design of the first DNA-independent mechanism-based inhibitor of mammalian DNA methyltransferase Dnmt1. PLOS ONE 12(4), e0174410 (2017). doi:10.1371/journal.pone.0174410 (WoS-SCIE, Q1, JIF: 2.766; times cited: 14)
Research papers in conference proceedings
- Miletić, V., Nikolić, P. & Kinkela, D. Structure-based Molecular Docking in the Identification of Novel Inhibitors Targeting SARS-CoV-2 Main Protease. in 2021 44th International Convention on Information, Communication, and Electronic Technology (MIPRO), 435–440 (2021). doi:10.23919/MIPRO52101.2021.9596660
- Miletić, V., Ašenbrener Katić, M. & Svedružić, Ž. High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design. in 2020 43rd International Convention on Information, Communication, and Electronic Technology (MIPRO), 371–376 (2020). doi:10.23919/MIPRO48935.2020.9245082
- Miletić, V., Šubić, T. & Mikac, B. Optimizing maximum shared risk link group disjoint path algorithm using NVIDIA CUDA heterogeneous parallel programming platform. in Proceedings on the 2014 X International Symposium on Telecommunications (BIHTEL) (ed. Mrdović, S.; University of Sarajevo, Sarajevo, Bosnia and Herzegovina), 1–6 (IEEE, 2014). doi:10.1109/BIHTEL.2014.6987645
- Miletić, V., Holenko Dlab, M. & Hoić-Božić, N. Optimizing ELARS Algorithms Using NVIDIA CUDA Heterogeneous Parallel Programming Platform. in ICT Innovations 2014, Advances in Intelligent Systems and Computing (eds. Bogdanova, A. M. & Gjorgjevikj, D.; University of Skopje, Berlin, Heidelberg) 311, 135–144 (Springer International Publishing, 2015). doi:10.1007/978-3-319-09879-1_14
- Miletić, V., Maniadakis, D., Mikac, B. & Varoutas, D. On the influence of the underlying network topology on optical telecommunication network availability under shared risk link group failures. in Proceedings of the 2014 10th International Conference on the Design of Reliable Communication Networks (DRCN) (ed. Van Daele, P.; University of Ghent, Ghent, Belgium), 1–8 (IEEE, 2014). doi:10.1109/DRCN.2014.6816135
- Miletić, V., Mikac, B. & Džanko, M. Impact evaluation of physical length of shared risk link groups on optical network availability using Monte Carlo simulation. in Proceedings of the 2013 18th European Conference on Networks and Optical Communications (NOC) and 8th Conference on Optical Cabling & Infrastructure (OC&I) (ed. Leitgeb, E.; Technical University Graz, Graz, Austria), 249–256 (IEEE, 2013). doi:10.1109/NOC-OCI.2013.6582897
- Džanko, M., Mikac, B., Miletić, V., Gonzalez, N. A., Zervas, G. S. & Simeonidou, D. Analytical and simulation availability models of ROADM architectures. in Proceedings of the 12th International Conference on Telecommunications (ConTEL) (eds. Pripužić, K. & Banek, M.; University of Zagreb, Zagreb, Croatia), 39–45 (IEEE, 2013).
- Miletić, V., Mikac, B. & Džanko, M. Modelling optical network components: A network simulator-based approach. in Proceedings on the 2012 IX International Symposium on Telecommunications (BIHTEL) (ed. Mrdović, S.; University of Sarajevo, Sarajevo, Bosnia and Herzegovina), 1–6 (IEEE, 2012). doi:10.1109/BIHTEL.2012.6412064
- Džanko, M., Mikac, B. & Miletić, V. Availability of all-optical switching fabrics used in optical cross-connects. in Proceedings on the 35th Convention International MIPRO 2012 (ed. Golubić, S.; MIPRO, Opatija, Croatia), 613–617 (IEEE, 2012).
Abstracts in conference proceedings
- Koren, R., Martinović, M., Nikolić, P., Odorčić, I., Ostojić, L., Visentin, D., Vrbnjak, K., Miletić, V. & Svedružić, Ž. M. Supercomputers as microscopes for the 21st century: substrate channeling, epigenetic regulation, and molecular basis of Alzheimer's disease. in 27HSKIKI Book of Abstracts, Zagreb, Croatia (Croatian Chemical Society, 2021).
- Miletić, V., Páll, S. & Gräter, F. LLVM AMDGPU for High Performance Computing: are we competitive yet? in 2017 European LLVM Developers' Meeting, Saarbrücken, Germany (2017). Recording of the talk
- Miletić, V., Páll, S. & Gräter, F. Towards fully open source GPU accelerated molecular dynamics simulation. in 2016 European LLVM Developers' Meeting, Barcelona, Spain (2016). Recording of the talk
- Nikolić, P., Miletić, V. & Svedružić, Ž. M. DNA Methyltransferase Dnmt1: Regulation of Substrate Selectivity. in 6th OEGMBT Annual Meeting 2014 Abstract Book (eds. Khassidov, A., Glaser, W. & Klimek, C.; Austrian Association of Molecular Life Sciences; Biotechnology; Servicebetrieb ÖH-Uni Graz GmbH, Vienna, Austria), 129 (2014).
Professional papers and conference presentations
- Škarica, M., Ašenbrener Katić, M. & Miletić, V. Primjena kviza u nastavi matematike. in 2021 44th International Convention on Information, Communication, and Electronic Technology (MIPRO), 996–1000 (2021).
- Jakupović A., Čandrlić S., Šumanm, S, Ašenbrener Katić. M., Jakšić, D., Načinović Prskalo, L., Slavuj, V., Miletić, V., Kaluža, M., Davidović, V., Širola, D., Rafajac, O., Pobar, M. & Malnar, D. Ogledni primjer web aplikacije Veleri-OI Meteo System razvijene za potrebe obrazovnog programa Veleri-OI IoT School. in Razvoj poslovnih i informatičkih sustava CASE 2021, edited by Mislav Polonijo, 61–73. Zagreb, Croatia (CASE, 2021).
- Miletić, V., Kovačić, B. & Lenković, K. PG-Strom: primjena tehnologije paralelnog programiranja NVIDIA CUDA na sustav za upravljanje bazom podataka PostgreSQL. in Razvoj poslovnih i informatičkih sustava CASE 25, edited by Mislav Polonijo, 53–59. Zagreb, Croatia (CASE, 2013).
Popular science papers and conference presentations
- Miletić, V. Slobodni softver otvorenog koda – nositelj inovativnosti. in Sveučilišni list Universitas 70, edited by Tomislav Čižmić-Marović, 24. Split, Croatia (University of Split, 2015).
- Miletić, V. Open source računalna kemija, Primatijada 2015
- Miletić, V. Ratovi web preglednika. in Sveučilišni list Universitas 65, edited by Tomislav Čižmić-Marović, 18–19. Split, Croatia (University of Split, 2015).
- Miletić, V. Kako su "neozbiljne" računalne igre razvile vrlo ozbiljnu tehnologiju korištenu u istraživanjima u računalnoj kemiji, biologiji i fizici. in Primatijada 2014, Poreč, Croatia (SZ PMF, 2014).
- Miletić, V. Možemo li predvidjeti (i spriječiti) prekid rada telekomunikacijske mreže?, Dan Novih Tehnologija (DaNTe) 2013, edited by Petar Biljanović, 1. Rijeka, Croatia (MIPRO/IEEE, 2013).
Recorded professional and popular presentations
- GASERI - znanost i industrija, eksaskalarna računala, trendovi u IT-u: Vedran Miletić and Matea Turalija interviewed by Lana Miličević and Darijan Jelušić of IEEE Student Branch Rijeka, RiThinking STEM Podcast, 2023.
- The challenges of the upcoming exascale supercomputing era in computational biochemistry, Research Class of Faculty of Informatics and Digital Technologies, University of Rijeka, 2022. Slides of the talk
- Evolucija studija informatike, #2 unConference IT zajednice Rijeka, 2021. Slides of the talk
- Od Aleksandrijske knjižnice do programskih knjižnica na GitHubu, Otvoreni dan sveučilišnih odjela, 2020. Slides of the talk
- Adventures in failure with the Dell PowerEdge R610 server (with Vlad): part 1, part 2, and part 3, MTS, 2020.
- The development of RxDock web server and the future of scalable pharmaceutical research in the cloud, Seminar of School of Chemical Sciences, University of Auckland, 2020.
- Design of drugs using RxDock high-throughput molecular docking software, Seminar of Department of Biotechnology, University of Rijeka, 2020.
- OpenClass podcast: Novosti u Blenderu 2.80 (Sanja Božić interviewed by Vedran Miletić), HULK Rijeka OpenClass, 2019.
- OpenClass: Forkanje projekata slobodnog softvera otvorenog koda, HULK Rijeka OpenClass, 2019.
- State of open source AMD GPU drivers, DORS/CLUC, 2019.
- Dan slobode računalne grafike i računanja na grafičkim procesorima, Graphics and Compute Freedom Day 2018, HULK Rijeka OpenClass, 2018.
- Umiru li vlasničke tehnologije u softveru i šire? (predavanje) i (diskusija), Skeptici u pubu, 2015.
- Secure Boot: the good, the bad, and secureboot.me, DORS/CLUC, 2015.
- Ratovi web preglednika, Otvoreni dan sveučilišnih odjela, 2015.
- Dan slobode dokumenata, LibreOffice, OpenDocument i PDF, Document Freedom Day 2015 (Dani digitalne slobode), HULK Rijeka OpenClass, 2015.
- Savršena oluja, Rikon, 2014.
- Open source računalna kemija (with Patrik Nikolić), LKLK, 2014.
- NVIDIA CUDA ekosustav: što je tu open, a što baš i ne?, DORS/CLUC, 2014.
- Mrežni simulator ns-3: mogućnosti i unutarnji dizajn, DORS/CLUC, 2012.
- LuaTeX i ConTeXt MkIV: TeX is still alive and kicking, DORS/CLUC, 2011.
Mentions in research paper acknowledgments
- Turalija, M., Petrović, M. & Kovačić, B. Towards General-Purpose Long-Timescale Molecular Dynamics Simulation on Exascale Supercomputers with Data Processing Units. in 2022 45th Jubilee International Convention on Information, Communication, and Electronic Technology (MIPRO), 300–306 (2022). doi:10.23919/MIPRO55190.2022.9803537
- Rennekamp, B., Kutzki, F., Obarska-Kosinska, A., Zapp, C. & Gräter, F. Hybrid Kinetic Monte Carlo/Molecular Dynamics Simulations of Bond Scissions in Proteins. J. Chem. Theory Comput. 16(1), 553-563 (2020). doi:10.1021/acs.jctc.9b00786 (WoS-SCIE, Q2, JIF: 6.006; times cited: 6)
Open-source software contributions
Software projects are listed in alphabetical order. Selected contributions are listed in reverse chronological order.
Apache HTTP Server
Description: home page, Wikipedia page.
Revisions listed from repository on Apache-SVN:
- revision
1897297
: Patch from Vedran Miletić. Notes version when this is supported.
CP2K
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
-
commit
983495517714a4ae559e359a4b24590748e428cb
: add support for __ELPA3 (elpa-2015.11.001) (Hans, Vedran).Note
svn-origin-rev: 16351
-
commit
f22cda299a7a3f09ff9d1ba3c376621f03b28322
: Remove dbcsr_error_type (Vedran Miletic)Note
svn-origin-rev: 16153
-
commit
fbfeb0d56fabab995210cb4fc10db8f504b6395a
: Remove cp_error_type (Vedran Miletic)Note
svn-origin-rev: 15915
-
commit
26055ca92e8341c447efbb8fe9c6367f28505488
: NEB: Fix file number padding (Vedran Miletic)Note
svn-origin-rev: 15867
-
commit
b075cfc0fbb08bc3806e14e06ac2deb60b3a9335
: Remove IF(.NOT.failure) pattern (Vedran Miletic)Note
svn-origin-rev: 15663
-
commit
34113fad2cbe0c899447f90819581573abc2c966
: Remove pseudo exception handling (Vedran Miletic)Note
svn-origin-rev: 15576
-
commit
15117457247a2a20e4241d5ffa1e0a070dfcc0cc
: Input: Remove required flag (Vedran Miletic)Note
svn-origin-rev: 15552
-
commit
ed0bd0f8fe85f61e04804caef26946a26e8dc5bf
: Input Description Change (Vedran Miletic)Note
svn-origin-rev: 15378
-
commit
8afc119ec5e8d5af4d0d91ff58468fe610ec3560
: Input Description Change (Vedran Miletić)Note
svn-origin-rev: 14234
-
commit
8c939f76055d5175cb42e10fcb92a1f283223dc8
: more doxygen fixes (Vedran Miletić)Note
svn-origin-rev: 14230
-
commit
02f6415aa900f3108880d729920f7e8325602e08
: fix Doxygen errors (Vedran Miletić)Note
svn-origin-rev: 14229
Drogon
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
- commit
e286fe869aa5d85feca4bc51692573b7a37a2468
: Fix building of ORM on FreeBSD (#444) -
commit
375498a5a66a28ee5d75118c70edc6a6a5409d1b
: Fixes for FreeBSD (#440)Note
- Use uuid(3) to generate UUIDs on FreeBSD
FreeBSD is now handled like Windows so additional UUID libraries are not required.
-
Modify build.sh script to work on FreeBSD
-
/bin/bash -> /usr/bin/env bash
- nproc -> sysctl -n hw.ncpu
{fmt}
Description: home page.
Commits listed from repository on GitHub:
- commit
f7aedc5fc4893fc627a2c0854f78a25b89214c5c
: Fix shared build on Solaris - commit
c2e84ee9cced1d969276cf87c1b857a9aabedcd0
: Fix FormatTest.StrError on Solaris
FreeBSD
Description: home page, Wikipedia page.
Commits listed from doc repository on FreeBSD cgit:
-
commit
17ca76d847606c99ffebad98b9e5636a26b6524b
: Clean extra whitespace in TOML filesNote
Submitted by: Vedran Miletić vedran@miletic.net
Pull Request: https://github.com/freebsd/freebsd-doc/pull/108 -
commit
6cae6054f814acd672a4f443a4b8d727b4ee4863
: Fix broken links to support - bugreports section from commercialNote
Submitted by: Vedran Miletić vedran@miletic.net
Pull Request: https://github.com/freebsd/freebsd-doc/pull/109
GROMACS
Description: home page, Wikipedia page.
Commits listed from repository on GitLab:
- commit
163687662da0eb4fc444c41aac170649a94ae2f1
: Replaced (const_)iterators with range-based for loops -
commit
cd348c8aa928409650f92e4ffdbce2230595472a
: Fixed source formatting artifacts/leftoversNote
Used clang-format 11.0.1 on sources in
src/gromacs
. -
commit
8eda9038c579785ddf1dc83657b0c7bdeb98c714
: Renamed members of{anonymous}::PositionCalculationTest::PositionTest
struct to avoid shadowing - commit
045f95c1e4555df193b4822f5316f6a23c465beb
: Renamed members of{anonymous}::NeighborhoodSearchTestData::TestPosition
struct to avoid shadowing - commit
3a2b0e78f75c8f6fab0e18953c8765655b90aec7
: Renamed members of{anonymous}::NeighborhoodSearchTestData::RefPair
struct to avoid shadowing - commit
bf0869fde35358d5f3094da2dc678a6a79312b15
: Renamed members ofgmx::test::AnalysisDataTestInputPointSet::Value
struct to avoid shadowing - commit
26028764edef168d08b9d88cf31bfff4b6136311
: Renamed members ofgmx::test::CommandLineTestHelper::Impl::OutputFileInfo
struct to avoid shadowing - commit
f638d179373f12ce4d20e9ea2555cfd36cb4f583
: Renamed member ofgmx::test::MoveOnly
struct to avoid shadowing - commit
689b4fdc9021964513c73864b48eecdbfe0631f6
: Renamed member ofgmx::{anonymous}::OptionsAdapter::ProgramArgData
struct to avoid shadowing - commit
d39016b09a03687061ac0bb1a756a875f7d8602f
: Renamed member ofgmx::{anonymous}::OptionsAdapter::FileNameData
struct to avoid shadowing - commit
f32e349632437b5aefc3737ba7e25834013490f3
: Renamed member ofgmx::{anonymous}::CommonFormatterData
class to avoid shadowing - commit
68b157b64ac8f6031419456ddbb1719c72db5bfb
: Renamed members ofgmx::analysismodules::{anonymous}::IndexFileWriterModule::GroupInfo
struct to avoid shadowing - commit
7407572f225106bd9b4922d6322c4271ca176167
: Renamed members ofgmx::HelpLinks::Impl::LinkItem
struct to avoid shadowing - commit
92dd58d88c2c6c1bbd5ac672842c868d77fedb7c
: Renamed members ofgmx::HelpWriterContext::Impl::ReplaceItem
struct to avoid shadowing - commit
df7059c8dd178cb2756c58dc569ea13edcdae1f3
: Renamed member ofgmx::AnalysisDataModuleManager::Impl::ModuleInfo
struct to avoid shadowing - commit
051c7d93dcea9747d603df8fe386d33ab401193f
: Renamed member ofgmx::ProcessFrameConversion::FrameModule
struct to avoid shadowing - commit
f376fe20ff5899fa3dd89fab313c6f2f3c2afe3e
: Renamed member ofgmx::Constraints::Impl
class to avoid shadowing - commit
1c10795d239b0b6c04b256bd7e42485d7464be48
: Renamed members ofgmx::ImdSession::Impl
class to avoid shadowing - commit
d6b1dcb5c2932f197bcfd3bdc67fd20633fae722
: Renamed member ofgmx::BiasParams
class to avoid shadowing - commit
db023872c617d378477b8109cd4c6f0633154f8c
: Renamed members ofgmx::AwhEnergyBlock
class to avoid shadowing - commit
e928ef7039b286a35392f6c0a969bff7a850f48a
: Renamed member ofgmx::ConstraintsParam
class to avoid shadowing - commit
a2f880bb1811f739f6dda2524f57258c62630b2b
: Renamed members ofgmx::CorrelationGrid
class to avoid shadowing - commit
1084afd1159be0b72838fab6e752bf5f27c13667
: Renamed member ofgmx::InteractiveMD
class to avoid shadowing - commit
d251804c5969cf9309959decb7fb2e49e0e89400
: Renamed member ofgmx::IonSwapping
class to avoid shadowing - commit
1565a300656239099b3dc5a35a45190e937326c1
: Renamed member ofgmx::LegacyInput
class to avoid shadowing - commit
b48a3b8e26820d7b85ded78d83f8eb64efe0805e
: Renamed members ofgmx::SelectionParserValue
class to avoid shadowing - commit
f7afdf8174bdac896e6cd050dba4ea116d27abdd
: Renamed members ofNbnxm::GridSet::DomainSetup
struct to avoid shadowing - commit
b63849003354791e18dabfc432a166fc7a51a193
: Renamed member ofswap_group
struct to avoid shadowing - commit
39eae60c361256acc80e9460f0282c8b3240c285
: Renamed members ofJListRanges
struct to avoid shadowing - commit
9b01106c17d8962cd38846c35b11ba588a50ad19
: Renamed members ofPairlistParams
struct to avoid shadowing - commit
03f14f6c256cac8792dd5db13220a190c32db071
: Renamed members oft_forcetable
struct to avoid shadowing - commit
40b1aefc6e18785f6bd903f298ca3b7364ce4024
: Renamed members ofpull_coord_work_t
struct to avoid shadowing - commit
a29b354ede30ebb4213d734e68fd8d49973bb829
: Renamed members ofdo_fspline
struct to avoid shadowing - commit
daa31a1e200867ae91b56277570c4a57526ba371
: Renamed members ofReverseTopOptions
struct to avoid shadowing - commit
84d987250f5195e01c3a80408ab1766d81c6fe83
: Renamed members ofgmx::TopologyData
class to avoid shadowing - commit
43bfcfa3b3cf262340281c4d73129b8af429a0a3
: Renamed members ofgmx::Profiling
class to avoid shadowing - commit
7e4a20cfd528649001052a46d4eb1eda621597b4
: Renamed members ofgmx::ModularSimulatorAlgorithm
class to avoid shadowing - commit
1dd5e6055d1a9b11741bc55dc42b4c990dd45653
: Renamed members ofgmx::DimParams
struct to avoid shadowing - commit
30d916f3a1ab88270d4549c59067d9bd74278f2c
: Renamed members ofgmx::DataFileInfo
struct to avoid shadowing - commit
3de3c223c91f16e667d5deaac7b0ca174280f322
: Renamed members ofgmx::InstallationPrefixInfo
struct to avoid shadowing - commit
6a071afc3c1eb15a0fe6f0c463003be6bde05d34
: Renamed members ofgmx::File::NotFoundInfo
struct to avoid shadowing - commit
c7841e1ffdfd4bcdea41635bfe90f2ac9e2424ff
: Renamed members ofgmx::SelMethodEvalContext
struct to avoid shadowing - commit
9757531930a8687d2ea7d31628694c79c5056979
: Renamed members ofgmx::SelectionTopologyProperties
struct to avoid shadowing - commit
e3d79fe899968ac6d3ff67f64e1670f64890ad6e
: Renamed members ofgmx::LegacySimulatorDat
a class to avoid shadowing -
commit
adff01bb0d0dd4e7529024fd69041607a4e2b690
: Reduce heading size by inserting a "Deprecated functionality" super-section.Note
Refs #4618
-
commit
18d347fb0451242eec08a7c02286c6045e93c1d5
: Cleaned up docs to use |Gromacs| substitution consistently and where appropriateNote
The substitution doesn't work in preformatted source code and in links, so I avoided using it in these cases and fixed existing cases of wrong usage.
-
commit
8cadd7d248c88c2efc9f3e01b4ffd139cf395376
: Renamed lambda parameters to avoid shadowing - commit
98a2339608e7250376fb9682797edb8c178a3450
: Renamed type parameter ofSelectionTreeElement
class constructor toelemType
to avoid shadowing - commit
3655b81c27d41b85c542af0b5067f57fd0a2874b
: Renamedgmx_hw_info_t
struct constructor parameters to avoid shadowing - commit
32255f4f818ce8d5cd7d0de70b11ac3c6698de8a
: RenamedtMPI_Thread_start
function to avoid shadowing the struct - commit
92aa6639f9d0b122a50ab50853499c26ae3895f0
: Renamedgmx_rmpbc
function to avoid shadowing the struct - commit
1b9e69bb160f3ee494413d0c45e1c7be75b5b348
: Renamed globalindex
type toIndex
to avoid shadowing - commit
0c9d3ec547e0581b7dc9dbe784e9eeb839453749
: RenamedIndex
enum toAtomIndex
to avoid shadowing - commit
32d2d3523967b89de6e8acc6bfacf6a8ae55b37b
: Renamedreal
enum torealnum
to avoid shadowing -
commit
24b0f57aafb067abac9a2a2086d4b98b9d23a305
: Renamed variables that hide variables from outer scopeNote
Specifically:
- parameter hides global variable
- local variable hides global variable
- loval variable hides parameter
-
commit
ddbea6649b2f2ad278a715f3a438d5c161be7283
: Removed debugging code in pull utilities -
commit
28acfd1164dd14c5a1ef2aa85f05744ce4a7cd13
: Fix building on Solaris with GCCNote
GROMACS now compiles on Solaris x86, specifically illumos distribution openindiana. GCC complained about a missing sqrt() variant which was addressed with static_cast and linker complained about missing libsocket which was addressed with SunOS-specific entry in target_link_libraries.
Refs #3050
Change-Id: Ic14a9327fa353270ef0e787b4d2357e86e71da53
-
commit
1333a483d730aed0633c63c782374c3ad6bb10c9
: Documentmatrix_convert
function in PBCNote
The brief documentation was in place, but the documentation of the function parameters was missing. This patch adds it and also fixes incorrect Doxygen syntax at pbc_dx_d.
Change-Id: Ic897911bf4b8866bb7c4dc3aea982493cc03874c
-
commit
32da95724a333b6fb97055bea8de5687f54756f2
: Documentt_commrec
structNote
Describe the mysim and mygroup MPI communicators and add a note about the communicator subsetting.
Change-Id: I2d39bd6827da59db5b3c38bd33de6903e17d0d06
-
commit
c33d8d64fa8c0fa27f6e429c24bf295c5eff5c61
: Improve the "files not present" error messageNote
It's possible to use -deffnm in restarts even if it wasn't used in the initial simulation. This can lead to absurd situations such as:
Expected output files not present or named differently: pullx.xvg pullf.xvg
where pullx.xvg and pullf.xvg are present and named exactly as listed, but GROMACS expects them to be named as -deffnm requested.
The improved error message suggest to the user to check for that possibility.
Refs #942 (partial workaround)
Change-Id: I983a7a2be791a634b877b0cbadb34e56a1ee2f82
-
commit
aee3a691bca8067672e91efa482e2a6a05f9c051
: Migrate some of the terminology pagesNote
Change-Id: I2671535659cc0e62aa44cd5056e3924180b6abba
-
commit
645414bb74b8191404e12f364805cf99e5e5a190
: Migrate the documentation of the run-time errorsNote
From the wiki, cleaned up and updated with new tool names.
Change-Id: Ia21e227b660d84b1b3f72f1f6e30cf29e5de9a23
-
commit
ba602c13530a4c922eecd07eda5493f5fd0e55b9
: Fix formatting of gmx msd DescriptionNote
When [tt] isn't followed by a space or a punctation symbol, Sphinx will generate wrong HTML output (preformated text ending tag will not be where it should be). The formulation provided here is also slightly more readable.
Change-Id: I328921b0e724e8f997fd07615e84cc8d87e7153f
-
commit
279eba76f677efc59d7169fb4d3d9fc98bc43f49
: Document floating-point arithmeticNote
From the wiki, expanded with the links to David Goldberg's legendary paper and its appendix.
Change-Id: Idb18ff37d4e8495412847f06872af693283dd747
-
commit
57836e7ead25c694f5a1d684d5aa6918de0fd567
: Expand Performance section of the user guideNote
Salvage and clean up the content from the wiki to expand the user guide. Minor fixes to the rest of the Performance section.
Change-Id: I39aba257c4c761a3a1ef428c64424da6fa449158
-
commit
95bdbfae9e38625be04a912b79c72a6f283e3b62
: Standardize use of |Gromacs| in reST docsNote
Where possible, replace all occurences of GROMACS with |Gromacs|.
Change-Id: I4835a148aefb2d8b088ca63b444bb1107520fc52
-
commit
65bf69442b578516a32ca65e046efcbb58a11b8b
: Really enable avx512 in fftw only for select compilersNote
Commit aa905d6 attempted to enable avx512 on GCC 4.9 or newer and Clang 3.9 or newer, but had elseif() in place of else() and resulted in no SIMD being enabled.
This patch really enables avx512 on supported compilers, and takes care of all compilers we officially support (MSVC, GCC, Clang, ICC).
Change-Id: Ia626b4cc6c82a2155d633f1482b99d3b2601fa3a
-
commit
46dc5e12c8a83880c19f0f6343ec4d8e6fad8522
: Document that we now support AMD GCN on Mesa/LLVMNote
AMD GPUs using Mesa 17.0+ and LLVM 4.0+ run GROMACS using OpenCL.
Change-Id: I899c4f1c0581fdb3ea635c1f19f37b66c5dc3411
-
commit
aa905d647e272792f67d93994578d0bb0eeb0f3f
: Enable avx512 in fftw only if compiler supports itNote
Enabling avx512 requires GCC 4.9 or newer or Clang 3.9 or newer. Since we support compilers older than those, we can not afford to enable avx512 in own fftw unconditionally.
Change-Id: I17dba4e16f3d3566c1f5188497d0467d1d2665a0
-
commit
7d603de9be282beeac7c310d94059632dc93c3c6
: Document running Clang static analyzer manuallyNote
Change-Id: Ic1a273e9f8fc489d03b59eef70ff71bb426ba720
-
commit
b142605b328bca62930bf7e7229ebe8fb1b663ea
: Improve include sorter error reportingNote
Change-Id: I5fe5d1ad6a4001cff6ae8a2b109e831c5e3eb433
-
commit
c35e87d620cd22164a6f0cd0e540e15d4e82eb16
: Make editconf B-factor attachment more useful in practiceNote
B-factor values will be added to residues unless an index is larger than the number of residues or an option is specified. Protein residue indices can start from any number and, in case they start from a large number, there is no way to add B-factor values to residues.
This patch changes it to add B-factor values to residues unless the number of B-factor values is larger than the number of residues.
Change-Id: Ifa67d6d6b5dc0f31e5b0d270ce255aece5ac7247
-
commit
d97be0dc79bdfedbea575ba3e7808bb4bfce7998
: Document wallcycle counters and subcountersNote
List the available counters and explain how they are used. For subcounters, explain the difference to counters and mention how to enable them.
Change-Id: Id5ce0e99b37a899f84d10b799840abad27d15c9c
-
commit
c4942a845673a9a60ff69b05f952f3a45a030987
: Print OpenCL error string instead of error codeNote
Change-Id: I00871b7f295373d8497a13d0bc3cbd0c0ff99668
-
commit
2defd44a4c438e2fff007d0970316524dcfffe53
: Use only legal characters in OpenCL cache filenameNote
The device name from the vendor could contain anything, and we need to avoid dot and slash when we try to make a filename from it. To help keep it valid for all possible users, we permit only alphanumeric characters from the current locale.
Change-Id: Ie55959a9a2161d0cfc7effa6ab57fffc8160f4e2
-
commit
f7a4354b0a5a9be2b7039483e99a23e5542beb0e
: Documentgmx_cgsort_t
andgmx_domdec_sort_t
structsNote
Add descriptions to fields of gmx_cgsort_t and gmx_domdec_sort_t structs used in domain decomposition code.
Change-Id: Ie64664ed46413e51ba22504270ab11350c39b84a
-
commit
1726c6263fc21e8d0a8636636c5459c76df270e8
: Print working dir before command lineNote
When running GROMACS via a batch script, it is useful to know which working dir is being used for relative paths (file names) in the command line.
Change-Id: Iab6701e09ad3b0386b59c2bdda2c4f908fdc2d0a
-
commit
fbc99c75abe169b792f53ddceecfe1e9226d199f
: Prevent writing to unallocated memory in mk_specbondsNote
Stop creating new specbonds after at most nspec bonds have been created to prevent writing to unallocated memory.
Change-Id: I53f9d20059915e7fba8767b92d92fa751e9165e3
-
commit
4b8d53be6aa22aeba77f375c31f65390a619e63b
: Report the filename and the line number on failureNote
Extend the call to gmx_fatal in fget_lines() to report the filename and the line number where the read failed.
Change-Id: Ib5ee06c06111cb61be616a5a4d01339da56a5685
-
commit
4c4c385bcbc381f1e7872a2c4176f233895d87c0
: Write OpenCL build log prior to checking build statusNote
If building an OpenCL kernel fails, we still want to let the user know why the build process failed. Therefore the code has to write the build log prior to throwing a build failure exception.
Change-Id: I2a8881895379da9ce4b13cf34788357347f1050c
-
commit
109138231f8534303949b418e20718a113966c48
: Remove static function qualifier in OpenCL kernel utilsNote
Static function qualifiers are supported since OpenCL 1.2. When Mesa 3D Gallium Clover state tracker is used on AMD Radeon GCN cards, it only provides OpenCL 1.1 support, so static function qualifiers are not supoorted.
Change-Id: I6d7aceabefeb0ce825b698962830201728bc56d7
-
commit
f7a1ddfcf732d682351c99db39298f255c2160ae
: Disable CUDA profiler when using OpenCLNote
Replacing GPU_FUNC_TERM with CUDA_FUNC_TERM generates correct empty implementations and therefore fixes linker errors.
Change-Id: I6485471eeb22bec9e6f0c3528bff7310593e3be6
-
commit
740b090b658b9a134ffd2f18ea16035e62a6dc9d
: OpenCL: use new defines (*_POW2_EXPONENT -> *_LOG2)Note
This fixes 'error: use of undeclared identifier' introduced in a86dee3d7d01ceb0b9a74d98010d17c47a7a8359.
Change-Id: Id61294897a35d5b7bde7b7d7469560b0a39836d7
-
commit
d4d377a2b0e666d4a2674b3d73b79d7c4e154b0e
: Update explanation of replica exchange outputNote
We use both ex and x as a shorthand for exchange, and the output should mention that.
Change-Id: Ied7fa5328191098a506279602a0ba67ca2254d0b
-
commit
330c6057a5ee856d3acfd8dee9206d589ac70f1e
: Documentgmx_repl_ex
structNote
This patch adds descriptions to fields of gmx_repl_ex struct used in replica exchange code.
Change-Id: I68fccd4d121ab3cf747ea5c61630728d74597260
-
commit
f39f90fab4d4da0c8e17f1fcd9366dd977390e5a
: Fix removal of symlinks created during installationNote
Installation of gromacs creates 2 symlinks for libgromacs.so, which become broken once library is removed. During uninstall, CMake macro EXISTS will follow symlink and conclude files do not have to be removed.
This patch adds IS_SYMLINK checking in addition to EXISTS.
Change-Id: Id7ef6768549a6fc09fb017e5be9ac286e4f7a026
-
commit
27e65c7671fd4053603bfa54f17ebdaf466e1f04
: Use ${CMAKE_INSTALL_LIBDIR} as lib directory for tng_io libraryNote
Directory lib was used as library directory for tng_io library. This causes problems on Debian wheezy (and future versions), which expect libraries to be installed under lib/<arch>. GROMACS already uses ${CMAKE_INSTALL_LIBDIR} for libgromacs.so, and this patch makes libtng_io and libtng_compress install in the same location.
This was also addressed in the TNG repository and this commit corresponds to commit e8fa7bf3abfc74acf60a048cdfe1f65fdbc0dc2d in the TNG repository.
This patch also bumps minimum CMake version required for building tng_io from 2.8 to 2.8.8 due to inclusion of GNUInstallDirs module.
Change-Id: I68b2196ab77e3e18c3a50717327e59b3482f2a29
Kanboard
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
-
commit
87432a4f34d4b8da2a06ed717451cee1082114eb
: Separated font-family specification for input and textareaNote
This avoids the requirement to use !important in custom CSS.
Linux
Description: home page, Wikipedia page.
Commits listed from Kernel.org repository torvalds/linux.git:
-
commit
67679b1fd166da8398e70b7dbffe12cfccf9c7bf
: ALSA: emu10k1: fix coding style for emu10k1_main.cNote
I fixed all of coding style errors and some warnings, now it is down to:
checkpatch.pl-0.24 --no-tree --file --strict --terse emu10k1_main.c
total: 0 errors, 62 warnings, 7 checks, 2075 lines checkedSigned-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de -
commit
718a2594b6a8c1c050fea85abbb4932b11105c17
: ALSA: emu10k1: fix faulty commit 18c71092Note
Commit 18c7109289625106cdc810b20b628cd13b46d6dd had #endif leftoff from compilation. This patch fixes it.
Also, I replaced a misplaced comment by a useful one, that explains why are here #ifdef and #endif added in compilation.
Signed-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de -
commit
18c7109289625106cdc810b20b628cd13b46d6dd
: ALSA: emu10k1: fix device names for Live!/Audigy1/2/4/E-muNote
- added missing SBxxxx, CTxxxx, PCxxx and MAEMxxxx where they were missing, and fixed some of them which were wrong (according to kx.inf, which is pretty accurate compared to anything out there)
- fixed device names to make them more consistent across various cards
- fixed order of devices where appropriate
Signed-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de -
commit
19c009aad0ddeaa6a4ba41577022301f18d43afa
: ALSA: hda: add more board-specific information for Realtek ALC662 rev1Note
I recently got a chance to play with two boards with ALC662 rev1:
- BIOSTAR TA780G M2+
- ASROCK K10N78FullHD-hSLI R3.0
Both use 3 stack, 6ch mode with digital out. Since autodetection isn't able to figure that out from BIOS, we need to specify that manually.
Signed-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de
Signed-off-by: Jaroslav Kysela perex@perex.cz -
commit
b636a1d947c7f1bb0e0a157663e08ce3e49b2e52
: ALSA: cs46xx: Add PCI IDs for TerraTec and Hercules cardsNote
This patch adds PCI IDs for:
- TerraTec DMX XFire 1024
- Hercules Gamesurround Fortissimo II
- Hercules Gamesurround Fortissimo III 7.1
All those cards were supported as generic CS46xx device, so they will work as before. I'm pretty sure that first two cards work, as they have same hardware design as reference card. Not sure about Fortissimo III, but this won't break it if it worked.
Tested on TerraTec DMX XFire 1024.
Signed-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de
Signed-off-by: Jaroslav Kysela perex@perex.cz -
commit
cc67b7f737103a2985e65e00edfdd1a5f89c3af5
: ALSA: ice1712/ice1724: Coding style fixes part 1 (more coming up)Note
Inspired by Alexander Beregalov's patches for wtm and aureon.c, I decided to run checkpatch on some more files. After some work checkpatch.pl-0.23 --no-tree --file --strict <file> reports
0 errors, 0 warnings, 0 checks, n lines checked for:
phase.c
phase.h
juli.c (1 check about unused code, maybe we should comment it)
juli.h (no changes necessary)In other files I have just fixed // comments and long lines along the way (but not all of them), more coming up.
Signed-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de
Signed-off-by: Jaroslav Kysela perex@perex.cz -
commit
eee75a6ca77a729c26258649abe992c15a6c76f6
: ALSA: ice1724: Enable MIDI on TerraTec PHASE 22 and PHASE 28Note
Even though MIDI was fixed on ice1724 chips a while ago, it wasn't yet enabled for some cards as it didn't get enough testing. This was tested with MIDI keyboard on PHASE 22 and with looping back output to input and it works stable, so it's safe to enable it.
Besides this, there are some more minor fixes, not exactly user visible:
- added info about PHASE 28 (collected, as I don't have a card)
- added info about TS22PCI and new revisions of PHASE 22
- disable 192k on PHASE 22 as AK4524 I2S doesn't support it
- enable SPDIF reciever on PHASE 22
Signed-off-by: Vedran Miletic rivanvx@gmail.com
Signed-off-by: Takashi Iwai tiwai@suse.de
Signed-off-by: Jaroslav Kysela perex@perex.cz
LLVM
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
-
commit
ad21f2687dcca2199a5b2bd9b7f04486008ece16
: [AMDGPU] Add custom lowering for llvm.log{,10}.{f16,f32} intrinsicsNote
AMDGPU backend errors with "unsupported call to function" upon encountering a call to llvm.log{,10}.{f16,f32} intrinsics. This patch adds custom lowering to avoid that error on both R600 and SI.
Reviewers: arsenm, jvesely
Subscribers: tstellar
Differential Revision: https://reviews.llvm.org/D29942
llvm-svn: 319025
-
commit
79b7f4c1250dfe779bbb44259e9c649dba276437
: configure.py: Add gfx900 (Vega, Raven)Note
Sort amdgcn-- and amdgcn--amdhsa in a consistent way.
llvm-svn: 319017
-
commit
9df2b9781c1f963b692defb884cb4fd4e9352c41
: math: Add native_rsqrt builtin function -
commit
d8f7ea381f8958b94d3eb82103be427e8a283347
: AMDGPU: Enable FeatureFlatForGlobal on Volcanic IslandsNote
Accomplishes what r292982 was supposed to, which ended up only really making the necessary test changes.
This should be applied to the 4.0 branch.
Patch by Vedran Miletić vedran@miletic.net
llvm-svn: 293310
-
commit
88d7da01ca7af18ed6bd446d388999bf9668a3cf
: AMDGPU: Handle structs directly in AMDGPUABIInfoNote
Structs are currently handled as pointer + byval, which makes AMDGPU LLVM backend generate incorrect code when structs are used. This patch changes struct argument to be handled directly and without flattening, which Clover (Mesa 3D Gallium OpenCL state tracker) will be able to handle. Flattening would expand the struct to individual elements and pass each as a separate argument, which Clover can not handle. Furthermore, such expansion does not fit the OpenCL programming model which requires to explicitely specify each argument index, size and memory location.
Patch by Vedran Miletić vedran@miletic.net
llvm-svn: 279463
-
commit
43ab9a00eb165625e07c1bc92afcfb521e926b1d
: [OpenCL] Output OpenCL version in diagnostics.Note
Diagnostics should note version dependent issues by giving a hint about current version being compiled for.
This patch changes diagnostics of static storage class specifier and generic type qualifier to specify OpenCL version as well as converts other diagnostics to match the style.
Patch by Vedran Miletic!
Review: http://reviews.llvm.org/D19780
llvm-svn: 269305
-
commit
c374cb76f467f01a3f60740703f995a0e1f7a89a
: math: Add erf ported from amd-builtinsNote
The scalar float/double function bodies are a direct copy/paste, aside from the removed (optional) code in float function body that requires subnormals.
reviewers: jvesely
Patch by: Vedran Miletić rivanvx@gmail.com
llvm-svn: 268766
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commit
3ec09e61d1c823837fbf442c83865673cbbf59c8
: AMDGPU: Document address space mappingNote
Summary:
Address space mapping is described in lib/Target/AMDGPU/AMDGPU.h in Doxygen comments. This patch adds the description to user guide for AMDGPU back-end.Patch By: Vedran Miletić
Reviewers: tstellarAMD, arsenm
Subscribers: llvm-commits
Differential Revision: http://reviews.llvm.org/D17046
llvm-svn: 265500
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commit
354a43c7bc562a4c67439a02e4bd717fb49a5857
: AMDGPU: Implement {BUFFER,FLAT}_ATOMIC_CMPSWAP{,_X2}Note
Summary:
Implement BUFFER_ATOMIC_CMPSWAP{,_X2} instructions on all GCN targets, and FLAT_ATOMIC_CMPSWAP{,_X2} on CI +.32-bit instruction variants tested manually on Kabini and Bonaire. Tests and parts of code provided by Jan Veselý.
Patch by: Vedran Miletić
Reviewers: arsenm, tstellarAMD, nhaehnle
Subscribers: jvesely, scchan, kanarayan, arsenm
Differential Revision: http://reviews.llvm.org/D17280
llvm-svn: 265170
Mesa
Description: home page, Wikipedia page.
Commits listed from repository on freedesktop.org GitLab:
-
commit
d9fef848a651b47520cbeb72c38b93d4fbf842a8
: clover: Use Clang's diagnosticsNote
Presently errors from frontend are handled only if they occur in clang::CompilerInvocation::CreateFromArgs(). This patch uses clang::DiagnosticsEngine to detect errors such as invalid values for Clang frontend arguments.
Fixes Piglit's cl/program/build/fail/invalid-version-declaration.cl test.
v2: fix inconsistent code formatting
Signed-off-by: Vedran Miletić vedran@miletic.net
Reviewed-by: Francisco Jerez currojerez@riseup.net
Tested-by: Aaron Watry awatry@gmail.com -
commit
95ddb37708ca16ccbd0f607d17a82be2de0d07b6
: clover: Restore support for LLVM <= 3.9.Note
The commit 8e430ff8b060b4e8e922bae24b3c57837da6ea77 broke support for LLVM 3.9 and older versions in Clover. This patch restores it and refactors the support using Clover compatibility layer for LLVM.
v2: merged #ifdef blocks
v3: added support for LLVM 3.6-3.8
v4: add missing #ifdef around
v5: simplify using templates and lambdaSigned-off-by: Vedran Miletić vedran@miletic.net
Bugzilla: https://bugs.freedesktop.org/show_bug.cgi?id=98740
Tested-by[v4]: Pierre Moreau pierre.morrow@free.fr
Tested-by: Vinson Lee vlee@freedesktop.org
Reviewed-by: Francisco Jerez currojerez@riseup.net
Reviewed-by: Jan Vesely jan.vesely@rutgers.edu -
commit
8e430ff8b060b4e8e922bae24b3c57837da6ea77
: clover: adapt to new error API since LLVM r286752Note
Tested-by: Dieter Nützel Dieter@nuetzel-hh.de
-
commit
2fba72046da09dd28f54df02794b358773899d13
: clover: Introduce CLOVER_EXTRA_*_OPTIONS environment variablesNote
The options specified in the CLOVER_EXTRA_BUILD_OPTIONS shell variable are appended to the options specified by the OpenCL program in the clBuildProgram function call, if any. Analogously, the options specified in the CLOVER_EXTRA_COMPILE_OPTIONS and CLOVER_EXTRA_LINK_OPTIONS variables are appended to the options specified in clCompileProgram and clLinkProgram function calls, respectively.
v2:
- rename to CLOVER_EXTRA_COMPILER_OPTIONS
- use debug_get_option
- append to linker options as well
v3: code cleanups
v4: separate CLOVER_EXTRA_LINKER_OPTIONS options
v5:
- fix documentation typo
- use CLOVER_EXTRA_COMPILER_OPTIONS in link stage
v6:
- separate in CLOVER_EXTRA_{BUILD,COMPILE,LINK}_OPTIONS
- append options in cl{Build,Compile,Link}Program
Signed-off-by: Vedran Miletić vedran@miletic.net
Reviewed-by[v1]: Edward O'Callaghan funfunctor@folklore1984.netv7 [Francisco Jerez]: Slight simplification.
Reviewed-by: Francisco Jerez currojerez@riseup.net
-
commit
e3272865c216933168e6c08766d266a33d0e1497
: clover: Pass unquoted compiler arguments to ClangNote
OpenCL apps can quote arguments they pass to the OpenCL compiler, most commonly include paths containing spaces.
If the Clang OpenCL compiler was called via a shell, the shell would split the arguments with respect to to quotes and then remove quotes before passing the arguments to the compiler. Since we call Clang as a library, we have to split the argument with respect to quotes and then remove quotes before passing the arguments.
v2: move to tokenize(), remove throwing of CL_INVALID_COMPILER_OPTIONS
v3: simplify parsing logic, use more C++11
v4: restore error throwing, clarify a comment
Signed-off-by: Vedran Miletić vedran@miletic.net
Reviewed-by: Francisco Jerez currojerez@riseup.net -
commit
7b9a0f4e38b6b64a91ed0e674410af962b390120
: mesa: standardize naming Mesa3D, MESA -> MesaNote
Signed-off-by: Vedran Miletić vedran@miletic.net
Reviewed-by: Edward O'Callaghan funfunctor@folklore1984.net -
commit
82e0bbd01abfb2073519941d9893fa6ac05fb58c
: clover: Fix build against clang SVN >= r273191Note
setLangDefaults() now requires PreprocessorOptions as an argument.
Reviewed-and-Tested-by: Michel Dänzer michel.daenzer@amd.com
-
commit
4825264f75c83576f251290547f121f066b46a70
: clover: Update OpenCL version string to match OpenGLNote
Change MESA into Mesa in CL_PLATFORM_VERSION and CL_DEVICE_VERSION. For both, always append git version suffix from git_sha1.h.
v5: move semicolon to same line as MESA_GIT_SHA1.
v4: drop #ifdef guards.
v3: add missing include.
v2: change CL_DEVICE_VERSION as well.Cc: mesa-stable@lists.freedesktop.org
Reviewed-by: Francisco Jerez currojerez@riseup.net
ns-3
Description: home page, Wikipedia page.
Commits listed from repository on GitLab:
- commit
37afc2b958acad3227a8149fddc1bbb733641781
: Add missing include in LTE test - commit
422a3fca7fb209aceade1992798acfc4cb92db22
: Fix building with Clang in optimized mode - commit
c5cb7eb89679383e3d6c42eab94e33bf0510d96c
: spectrum: actually remove the define -
commit
26ed7563e1b983f1b4ffb378fc2171264e817647
: spectrum: replace #define private public with friend classNote
ns-3 declares test classes as friend classes elsewhere, and this is the only use of #define private public. Removing this #define also fixes building with GCC 6.
-
commit
62aa377d4f1a5f281330f763cef0ff1f40ba950c
: Upgrade Waf to 1.8.19 - commit
038fdd2c8357c95cef8797d91806731828f989a8
: Replace comparison of this to null with NS_LOG macro - commit
bbe892572705ad59dd02626fab0932b9e93a2db3
: Fix building with Clang 3.7 (use delete[] instead of delete) - commit
dc841819ccea7b3ba6222c4b3807da9514701eb5
: Upgrade Waf to 1.8.16 - commit
397d34fb5822b2c783350056015dd1e889475bec
: Update Waf to 1.8.13 - commit
3a690bd07146c0b878640d9b363aa2e453a8717f
: Detect gccxml using CastXML wrapper in waf configure -
commit
f1a1922cc0b736030616b29f76684b2b1ef3af6b
: Silence Clang 3.6+ -Wno-potentially-evaluated-expression warningNote
Clang 3.6+ warns about "expression with side effects will be evaluated despite being used as an operand to 'typeid'" if Ptr<> is used as an argument to typeid(). This changes the code to use raw pointers instead of Ptr<>.
-
commit
a944617f27362e6d0947daca13fe16cdb44389be
: Use proper environment when checking for supported compiler flags - commit
6cb06ce56067b5dc54ca79506f91b56abec0be67
: Handle the case where scratch or examples directory is missing - commit
46297abcda6450aa7f2352717f4de421555ccfdd
: Remove unused EXAMPLE_DIRECTORIES environment variable - commit
9f10edb6658c8e68f6923789d73ff792908cee69
: Update waf to 1.8.12 - commit
4146d77eaf569ca438ad695fd62097fcabfafc33
: Fix printing of gccxml version (Waf 1.8 API change) - commit
2006e41baa5488de6e961893f2c03d033f2904f1
: Fix Python bindings wscript and waf-tools for Waf 1.8 - commit
d4e9a7968e2a95ac08bad1e47f7e3203c8f14602
: Print correct output directory -
commit
203a80dd7346968b70d74b766c839c12c7e5d42a
: Handle broken versions of Clang betterNote
Clang packages in Debian are sometimes broken. In that case, compiler fails with "fatal error: 'bits/c++config.h' file not found". We should detect that better. This patch updates boost.py to latest waf version which works, and also handles empty apsican variable.
-
commit
7967235960d4bb2a1e6e719e867b1e397995219c
: Fix building with clang 3.5 (abs->std::abs, unused vars) - commit
3edd12c1911407d051bad549bbd5bd0f5c4559af
: Fix building with GCC 5 and subsequently clean up sgi-hashmap.h -
commit
e5024de5b32b7ee9f525de5d9a0ed36a54648024
: Fix compilation with GCC 4.2.1 on FreeBSD 9Note
Thanks to Domagoj Stolfa shrinkd@gmail.com for his aid in debugging this.
-
commit
dba84a150e655b1db441ecdcd7f263c8cae271c0
: Fix building with Clang 3.5 - commit
e22f7b5958d1df8366cc333d20317405962df0ff
: Make ordering of member variables in NSC TCP socket implementation header/source consistent - commit
6acf41814ea7378d559093ffbc18c4f84f15d20e
: Move tests outside ns3 namespace - commit
df005f262e7873c0d1836a28c65bc5415e79bc69
: Introduce additional Time units (Year, Day, Hour, Minute) - commit
f1f6d270912c778865c688ffac1c845d345e4322
: Fix doxygen errors in src/network, excluding 'is not documented' missing documentation - commit
a3e7cb04e671083fcea9170c2dae70fd9385362e
: Remove unused consts to fix building with Clang 3.4 pre-release versions - commit
ad96327325c9a29c30b7e57d841af2504e57d6ad
: Fix optimized build with Clang 3.2+ (remove unused variables from tests) - commit
32b19bd983348884dbf69ca5d7a2bffc660f72c3
: Bug 1779 - NS_UNUSED_GLOBAL not working in attribute test class declaration -
commit
f781366d2e484edbad34c52f74d48482ad0e2f32
: Fix compilation with Clang 3.2 and newer versions, including Apple Clang 5.0Note
Clang 3.2 requires all class members to be used in the code; this patch either removes class members that are not used or adds NS_UNUSED/NS_UNUSED_GLOBAL around them. Thanks to Andrey Mazo and Tommaso Pecorella for review.
-
commit
f9f3110086e5507c35dd3474327c7bb9e4d23046
: Remove unused wifiMode variable, fix build - commit
e1f1e9a1adcbc686ae26784a42f1c0999d937650
: Revert 097891ca7dea (Change upper-bounded TimeChecker to actually do what documentation says) and fix documentation instead - commit
19c09725a96b8956d2d8f4ea4c57d68bde7ca11b
: Change upper-bounded TimeChecker to actually do what documentation says - commit
17b897750cec08a40b4f7b364d15b0ad66ed2832
: Add Makefile wrapper for waf, to ease configuration in NetBeans, Eclipse and QtCreator - commit
b5891dce4141bb4cb3138323cb2216f899050012
: Replace <limits.h> include by <climits> -
commit
f97431bf10607f60bda3c8bbd59fee5716503dae
: Clean up core module for building with ClangNote
This means removing unused private variables in random-variable-stream.{cc,h} and system-thread.h and fixing removing bad static_casts in calendar-scheduler.cc.
-
commit
80098cdd1cc25819630e2ef67e1c7809772e908d
: Upgrade waf to 1.7.11. -
commit
9659c4528e63ed7fa7f87c57ad1c7487f4ff31b6
: Fix building with Clang 3.0 without extra CXXFLAGSNote
Clang identifies as GCC 4.2 to compilers which check for GCC version. This patch adds further check for clang and undefines __DEPRECATED macro in case Clang is detected. Newer versions of Clang are much stricter and still require CXXFLAGS for other warnings.
-
commit
b47d4aac23e237ea957992a886933f6ab534087a
: Add missing limits.h include to nstime.h and print-introspected-doxygen.cc - commit
172e7aff8f1ec2b8d9f37aa3885791300f2700b1
: Check for <net/ethernet.h> include before enabling fd-net-device module - commit
c0e64dac61cdee1c991743267c406b4379caec83
: Fix Bug 1669 - ns-3 should support binding two and three (possibly more) arguments - commit
5b6db3ec128d9992317634e439d507b25b644361
: Update manual with Start/DoStart to Initialize/DoInitialize change - commit
59d75a4686f66e9516b383f26ab6a70387f2de3c
: Update tutorial with Start/DoStart to Initialize/DoInitialize change -
commit
53ec6a479e1d9dfc4875110171ae8f48b96f847d
: Rename Start and DoStart methods to Initialize and DoInitializeNote
The goal of this patch is to allows us to differentiate the Start/Stop functionality present in some classes from Initialize/Dispose functionality.
-
commit
6919cef0b3a3b136b31dc6b7b2ad3eb3813897e1
: Backed out changeset e1e45baa7046, adding comment to log.cc to prevent confusion - commit
e5cd4dbd4e13a355987f267f95aead1856f156d9
: Remove extra whitespace in some LogLevel labels - commit
44e8b40ac91c35f4c139d7f73c95a5b864ac7d60
: Rename SequenceNumber TestSuite to sequence-number for consistency - commit
41cc7abc1e94eecdb9b1a61f7971236fdd335ab1
: Update release notes about Waf and create-module.py changes - commit
b656a0cab7ef7e631f671bc867f14e1c428b2872
: Introduce compound name for static TestSuite declaration and be stricter about allowed module name - commit
f90477b2033e219b135f406389693a357d8ed599
: Fix INCLUDE_GUARD for helper in create-module.py - commit
ec787b2d61d88a395199f1c2cfb5a15dce080e3f
: Fix capitalize in create-module.py for module name containing dash - commit
4acc107d9742975de26894ba5da9c35fc3994f60
: Clean up function logging of energy module. - commit
3f41bbf326fac4e1abf2a9b00b4dabc4d85a4783
: Add proper license header to simple-device-energy-model.{h,cc} -
commit
bbdb4231b38a68e4ce76e9fd9932766209e7420c
: Upgrade waf to 1.7.10 and fix included wscriptsNote
This is a massive upgrade removing almost all pre-waf 1.6 script code. In addition, this does away with custom pkgconfig.py script for making .pc files and replaces it with waf's builtin mechanism.
Massive thanks to Alex Afanasyev for ideas and bugfixing, to Alina Quereilhac for bugfixing and testing, and to Tom Henderson for thorough testing.
-
commit
df67c9c116939aa52ca2deb5ea09e3f52b4fd8e4
: Improve logging of InetTopologyReader -
commit
c9152825c264601d02a62ef3f4e15f40ff72f078
: Fix INCLUDE_GUARD in create-module.pyNote
This patch fixes two separate issues: first, it replaces "-" by "_" in addition to capitalizing module name when creating include guards, second, it names it consistently with the rest of ns-3.
-
commit
80fe6e05ba323986ceb67313fe9794734e388d6d
: Remove C headers and replace them by C++ headers if actually used - commit
d9f638d21176c15ffe211f08e24e1ce6906bb859
: Simplify topology-read example code a bit - commit
343c15bfd35ba58e349bd6b7a5dc669093bb56ff
: Fix encoding in wimax-iipv4.cc example - commit
e99b43d230c7f9046d4a404f613f1c667531527c
: Minor fixes and improvements to logging chapter in manual. - commit
ac157ff4ba211b4a8a5de612fd208b08a13c3f51
: Fix indentation in comment in ILP32 Python bindings. - commit
928431b698d6fa4f8a5a6e2d1ea0414981d94270
: Do not install LTE scheduler test headers in ns3/ directory. - commit
062ca6a15353762c8633858d5b6130ec2ab72d7e
: Add newline at the end of file to silence gcc on FreeBSD 9. - commit
dab91377b386e028a0667b9d370c2da6a200ad3d
: Remove NS_LOG_FUNCTION stuff from ::GetTypeId() functions. - commit
621e6ca2a6c8900d0568c696415bf8a5b36d0757
: Allow using CXX='distcc g++' with ./waf configure. - commit
e640ed81af3d55bf9d51bf8e120d38aa1f7cd3b4
: Clean up function logging of applications module. - commit
a476a9085fe31767bba4c2dbd9cdace9de9d29b1
: Clean up OnOffApplication logging and connection notification, remove unused function declaration. - commit
0622524b8ea8f7373c304a19e1b194ffd523fe81
: Change to C++-style includes in log.cc. - commit
182aa787938f10e0d454b107edf22f2fa277992a
: Document building with distcc in tutorial, add it to RELEASE_NOTES and CHANGES.html. - commit
a6836218f4463d46427158c64d281ce44588ba00
: Minor fixes and corrections to tutorial formatting. - commit
070eeaa39a9af206212552e8e8da688a65f8a36a
: Minor fixes and corrections to manual formatting. - commit
5d88bed78fce81febee4a7ebfdb1dca994137209
: Fix bug introduced by changeset 9137:822abb428976 Allow using CXX='distcc g++' with ./waf configure. - commit
c3b411ac94b51f9b8221e18d6e80c866c22e6f71
: Improve logging part in tutorial, and make clear distinction between logging level and logging macro. - commit
dd61b3dced47834b18adbc6f0bf92d020df5d848
: Add logging to default-simulator-impl.cc and fix some outdated documentation. - commit
aa554e051d66a4b14aa50eb3aa4c9423859d8ae8
: Clean up core, network, internet, point-to-point tests that don't access private class attributes and methods in accordance to sample-test-suite.cc. - commit
fd0ca6f1b164b3b09a0e4b6d85f422af39c9a5c9
: Really fix bug 1345 - ns-3 should build with clang >= 3.0 (requires -Wno-deprecated due to sgi-hashmap.h) - commit
ed72cae14b68e71b994f93a7bdadd2268c7d0ee3
: Fix MPI build (bug 1237 regression). - commit
71e380b55eeb23165282a9156306e2f97bcf6df4
: Bug 1237 - code cleanups related to includes - commit
205780173c2ec9738629411852a7266387eee5b8
: Fix logging in Ipv4L3Protocol::AddInterface and Ipv4L3Protocol::Receive. - commit
c56854fced523972f8ed3935365b54a28e2f3145
: Cosmetic changes to NS_LOG_INFO log output of OnOffApplication and PacketSink for consistency with UdpEchoClient/UdpEchoServer - commit
7a16b3523695ea7e1554caf3e381fd2b582ba6c1
: Update CHANGES.html and RELEASE_NOTES for QueueMode and ErrorUnit. - commit
b5cac1da2405311bf83c90b3bb23bbe4d8c06b33
: Use longer names for QueueMode and ErrorUnit enums and move them to Queue and RateErrorModel classes respectively. - commit
9d5db73acb2bb7de2177fb4c2b449b0b967b2da2
: Add time to UdpEchoClient and UdpEchoServer NS_LOG_INFO output. - commit
5f350bece70598d47b917845fb4d8c25a99ddbfd
: UdpEcho NS_LOG_INFO bugfix (wrong address type) and cosmetic changes to log output - commit
33f5232a85d5d73b89e7524f44fa4db20ebb44c5
: Bug 1388 - LTE module doesn't build in optimized mode with GCC 4.7 - commit
0083b436d06c683663983e6b2f8421d3ec710ec4
: Additional static casts needed for gcc-4.7 compilation - commit
4dc22f07af788227f51f43e26ca3125358ca813e
: Still Bug 1327: disable VNUM in libraries, fix the .pc file deps - commit
ff86ca198decfc685f20b74c7223a15f690bc194
: Bug 1327 - Version installed ns-3 files - commit
2e6646f91984a698c1a5d00d5afeb64bd29b345c
: Bug 1332 - Generated .pc files have blank line above and below the text - commit
39d338dbeb44f6bb18dae22a35057e3330c3b246
: fix various doxygen errors - commit
9a9585a8df111a6d2f0d00db5aeb01611cef5cb7
: Small typo in documentation in generic-phy.h - commit
0538e655aa664a1332aec043418f218da5e8fef9
: standardize ns-3 namespace declaration format - commit
fe0667def860d0f07938aaa27eecd611a5631657
: standardize emacs c++ mode comments - commit
7271e9fa6f6f7e994961568ff46fa0f0639c523c
: bug 1203: Inconsistently named ifndef/define macros in ns-3 headers - commit
8a5d58bedae56e147f24bb732aaef1be9050a1e6
: Clean up function logging for non-DCF part of stats module - commit
0d2da59558866bd02403429a9ec57084d5de0ab5
: some tutorial index.rst fixes - commit
cc69b4f83f7eab27df7ca1c36c1232da8464f292
: documentation file name fix - commit
1edd47a75152da15d20104787ded82fc1116e813
: fix TeX formulas after doxygen change
PHP
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
-
commit
7065a222b777098fedc3e529f864e994966c5688
: Respond with HTTP status 405 to DELETE/PUT/PATCH request on a static resourceNote
Co-authored-by: Marin Martuslović marin.martuslovic@student.uniri.hr
-
commit
4f509058a95b6952ad24ed9ddb7ea9b39f5311e2
: Respond without body to HEAD request on a static resourceNote
Co-authored-by: Marin Martuslović marin.martuslovic@student.uniri.hr
Phorge
Description: home page, Wikipedia page.
Commits listed from repository on Phorge:
-
commit
f8ffa393c4427f8b9026075e6dc490990a12df12
: Added cross-platform default fontsNote
Summary:
system-ui
is provided by modern browsers as a cross-platform default font. Using this font was a controversial choice back in 2017. because it did not address i18n well and therefore it was removed from Bootstrap twbs/bootstrap#22377. However, it was added back in Bootstrap v5 twbs/bootstrap#30561 since it got better over time.Fixes T15049.
Test Plan: Tested locally for now.
Reviewers: O1 Blessed Committers, avivey
Reviewed By: O1 Blessed Committers, avivey
Subscribers: Matthew, avivey, Cigaryno, 20after4, Ekubischta, speck, tobiaswiese, valerio.bozzolan
Maniphest Tasks: T15049
Differential Revision: https://we.phorge.it/D25021
PyMdown Extensions
Description: home page.
Commits listed from repository on GitHub:
-
commit
0b9345a4901eae13e8372fb981327cd8fc3e556b
: Fixed Python 3.12 DeprecationWarning (#2055)Note
Testing an element's truth value will raise an exception in future versions.
Python-Markdown
Description: home page.
Commits listed from repository on GitHub:
-
commit
1337d0891757e192165668d2606db36cf08e65a9
: Fixed Python 3.12 DeprecationWarningNote
Testing an element's truth value will raise an exception in future versions.
RadeonTop
Description: home page.
Commits listed from repository on GitHub:
-
commit
7b0fdb35f57936def4e215fcc672d66c631f1935
: Print "amdgpu not enabled" warning just onceNote
If printed in the getvram() function, it will appear in the main screen and overlap with other elements, which is undesirable.
-
commit
f202e366535c55bf857bc7310d34cda93d6139f9
: Add support for VRAM size and usage reporting on amdgpu - commit
f84fa2b759595297dd0cff0fc2b438e9d5345818
: Add support for Polaris 11 and Polaris 10
RDKit
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
-
commit
f4e929a440d0fffe57be63f20cb0088763ef4c62
: Added cstdint include (#6338)Note
Required for uint64_t, fixes compile error
RxDock
Description: home page, Wikipedia page.
Commits listed from repository on GitLab:
- commit
d559761b4b23a32d7660a81b0cd4b5fdc1ffe53f
: Dereferenced pointer for logging - commit
dca87a1b93ce6f09cf4d3c178524b981918ba36f
: Removed extra closing bracket - commit
1de35a6220109c5a01b17236bd701e0ba8102c3d
: Updated website URL in source code - commit
2e15a612491fe5dc71816f6d42d1a175ed8fc928
: Added rationale for using Meson to Build system docs - commit
9500b8fa593bb519961d9bdbf7e1a1b26b3f559c
: Replaced custom configuration format with JSON-based - commit
f7feb0a1d99dda5f214a16a152d986fc31fef955
: Added simple multiprocessing wrapper for rxcmd - commit
cd935d0b3f1fd3bc90b0a6f522f64d32a49be48b
: Added a wide version of the logo - commit
a2ebc98e2276da47ef5f0a39ee536268ee245044
: Added an assert to avoid null pointer dereference in Restart test - commit
dd0d541a16c5ae3312555f95b946ea7abe2500f2
: Replaced boolean asserts in tests with more informative ones - commit
c45b76b1499419416b7f210ff51a8f152220e732
: Const'd all static std::strings - commit
6f7ee056750803f5fc81ede1d066dcf1d8905f30
: Converted data/Elements.dat to a JSON-formatted file - commit
c6ed5c76e88cf729f92753ad1ed30526cae89b90
: Added .gitignore - commit
e0fc773fa184daedb4747dd3f27b2811e348b2bf
: Prefixed with rxdock. and lowercased scoring function names - commit
34107f2637b46f6b0aff9696c4c29a2b2d36280b
: Replaced rbcavity and rbdock with equivalent rxcmd commands -
commit
569f2fe6df5401ce9b8d6780a487e570030e9a2a
: Introduced public API and started developing CLI using itNote
Added Tabularize command for easy conversion to CSV using CLI.
Added Transform command that replaces a number of Perl scripts used for sorting, naming, and filtering with the goal to eventually replace all presently bundled Perl and Python scripts.
The public API should be considered work in progress at this point. At the time of the stable release, the public API will support a number of operations and will remain stable over time as the internal program structure continues to change.
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commit
15b7f584f1a875ad71e55fc1f7a4e21ba599c928
: Added quote printing function, will be used by future CLI -
commit
9b74cdae73a0ca1bac97b0c41b2c3d38a8b7d296
: Moved symbol export macros from Rbt.h into a separate headerNote
Also removed unused headers from Rbt.h and related Config.h.
-
commit
73dd2cdebc179f32dbaf185b7ad4d6d49fc29af9
: Added generation of the pkg-config file for librxdock - commit
8ed0f00d95e7b6a119cb18a244136c09712d104e
: Enabled header installation - commit
8a637b96588dc0186284be77f1507b3c8dd20e09
: Updated include directives to use full header path - commit
64796a7e75ed92e4266b1ca191894e2cc0e491c9
: Removed obsolete build and documentation files -
commit
371f9c79a592b8c939648f8a02ed430080734585
: Moved files aroundNote
Headers are now in include/rxdock/, implementations in lib/, executables in tools/, and tests are in tests/ with data in tests/data/.
-
commit
a63c9ab602be1bcba7005cf12b7cdf2cfc4eba83
: Replaced logging cout statements with Loguru macrosNote
Removed BaseObject::{Get,Set}Trace functions and TRACE configuration directives from parameter files.
Also added wraps for Loguru and {fmt}.
Partial credit goes to Luka Vretenar luka.vretenar@gmail.com for helping with the grunt work of the conversion.
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commit
e5c4841229072ad04933e9fb19f5aafd1da41f76
: Added building and installation instructionsNote
Also removed obsolete building and installation instructions.
-
commit
b87e82de1e3e20510e3262d07557da54cb3e5f8a
: Replaced custom binary (de)serialization with JSON-basedNote
Used nlohmann_json for JSON input and output.
-
commit
3f48f3959703927bd35944a34740974980bbb281
: Introduced rxdock prefix for some Model data valuesNote
Specifically, chrom, program, ri, and tethered_atoms are now lowercase fields prefixed with rxdock. (e.g. rxdock.ri, rxdock.chrom.0).
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commit
61d33ab1e7fdd5e504cdd43e55916a2cdc512cfa
: Changed rxdock::Error to inherit from std::exception -
commit
cafe20ebb056a218b05428997ef370c533a39b20
: Removed Rbt prefix from class, function and type namesNote
Updated data files accordingly and renamed functions and methods as necessary where conflicts occured.
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commit
37ceea592e076722f459277d6e31a20397ac6e03
: Renamed namespace Rbt to rxdock and moved everything under itNote
Renamed functions where conflicts occured and added out of class declarations for some operators that were previously declared only as friends in classes to silence GCC warnings and fix MSVC errors. In particular, renamed rxdock::GetVersion() to rxdock::GetProgramVersion() to avoid conflicts with Win32 API function from <sysinfoapi.h> header.
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commit
c0c3a3a05e59ab2804cb883866da809652841fa6
: Fixed MSVC error C3016Note
Index variable 'i' in OpenMP 'for' statement in RbtDockingSite must have signed integral type.
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commit
f1ea257c8d07c4795292c7592aa8351b638572d8
: Replaced the old binders and adaptors deprecated in C++11Note
In particular, replaced std::unary_function, std::binary_function, and std::ptr_fun with std::function, std::bind2nd with std::bind, and std::mem_fun_ref with std::mem_fn.
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commit
6bea1fa87995fd7364f922e43ce6fdc45bf652cc
: Specified that rDock was developed at RiboTargetsNote
That occurence of rDock was wrongly generalized to |Dock| (so it can be rDock or RxDock depending on the value of the replacement text).
Thanks to Sergio Ruiz Carmona Sergio.RuizCarmona@baker.edu.au for spotting this mistake and reporting it.
Also changed one wrong occurence of rDock in the User guide to |Dock|, where we link to download links for RxDock.
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commit
8e230b0f9a552fb27b41489c1d91e8f582621940
: Enabled building of code documentation using Doxygen -
commit
d23b667c930242e0b0376b5cf4fe2bf0b8f6564e
: Created figures for cavity mapping methods sectionNote
Partial credit goes to Patrik Nikolić patrik.nikolic@rxtx.tech for the composition of some figures.
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commit
a64eb9af37625a7c6f1af8ab80e88c27435c8393
: Made rblist use MDL title in output if available - commit
036b9571cc23223e5b1ecf1f826445cfe5dd673e
: Added comma-separated values (CSV) file sink -
commit
a9006f7be170c8dd7f3d12924f836eb18513ebca
: Fixed compiler warnings reported with -WextraNote
- Initialized base class RbtContext in the copy constructor of the derived class RbtStringContext
- [-Wdeprecated-copy] explicitely declared operator=(const &) for RbtCell and RbtVble
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commit
a66699877b813e47493f52f5e7d64ba69ec23fbe
: Added a warning in rbdock if there are unnamed ligands -
commit
ea96f3f4df97aa06f105b5885873a16e50d8327e
: Rebranded from rDock to RxDockNote
Updated logos and documentation accordingly. Versioning changes:
- Removed EXEVERSION which was wrong anyway since we haven't used CVS \(Id\) values since forking.
- Removed IDS_BUILD which we didn't use and it ain't going to work in the future if we want to support reproducible builds.
- Restarted versioning from 0.1.0 since the plan is to use semantic versioning from now on. Removed separate include/VERSION and integrated into RbtResources.h which will eventually be generated by Meson at build time.
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commit
50effa882a811e004683fe0b3f33263d1354e5d9
: Uniformized program name in MDL title, added timestamp - commit
7105c061c478585b7f586cd127acca2a3cdb9707
: Made rbdock skip ligand after more than 10 errors -
commit
1b756fee2d73212875c717994cb13694bc4591c5
: Ported sdrmsd and sdtether to Python 3 and Open Babel 3Note
Cleaned up inconsistent use of tabs and spaces and replaced old style string formatting (%) with new style (.format()). Used autopep8 for further PEP 8-compliant style fixes.
Open Babel 3 puts pybabel module inside openbabel, so import has been changed to try that first and fall back to 2.x style import if the first import fails.
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commit
566b230f1d2b5d17fc4e920e2efeffe323714230
: Changed Perl script header to make them portableNote
In addition, ran perltidy on the scripts and removed a duplicate of the header in sdmodify.
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commit
7bb61dc5c008cea417768bc599c1e802452e9bd4
: Added estimation of remaining number of ligands and time - commit
710bb15503f794791ba3b3fee9051f566bb556be
: Added measuring and printing of docking time per ligand -
commit
0cf7f6c1f1f9dad882aeb85cd803bb78c64a47d0
: Implemented the real grid using Eigen TensorNote
To make the change less distruptive, RowMajor order is still used, but the array indexing is now from 0 instead of 1, which simplifies the code quite a bit. Built-in Eigen functions are used where possible.
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commit
5506d9531cef068cbcfb28c5cb7bd43eaf9105e5
: Replaced Nelder-Mead implemenationNote
Nelder-Mead implementation used previously was previously built on top of TNT. Since the usage of TNT was replaced by Eigen, it's reasonable to use Eigen for Nelder-Mead as well. Thanks for the implementation guidance go to Matthieu Brucher: http://blog.audio-tk.com/
Partial credit goes to Dominik Kinkela dominikkinkela@gmail.com for the experimentation regarding the implementation approach.
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commit
ee6d3b47c6bddb36ce4e6cd8189849c7804fa483
: Check for CRLF line endings in RbtMdlFileSource -
commit
fcf17c380cf9cb9e20ecd55cbe24b59ec6df49be
: Made HTML documentation responsive on smaller screensNote
Reduced CSS min-width from 450px to 240px.
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commit
6263e4165564ad5de1efcddbb0b9fe062d81b0ea
: Fix some alerts reported by LGTMNote
- missing include guards
- new without delete
- declared variable hides function parameter
- unsigned comparison with zero
- dangerous/obsolete function asctime replaced with std::put_time
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commit
b9cb3ac8a1985d748a8f6389e087e9d390f3d003
: Enabled installation of binaries, library, and dataNote
Fixed wrong (missing or extra) executable permission on data files.
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commit
a0ef7fa815b2bc596cf75fed21a8a1dece4d2d6f
: Used cxxopts instead of getopt for CLINote
Removed support in rbdock command for -t option without -C so -t now has a unique meaning. Previous meaning of -t without -C (filter file name) is provided via the newly added -f option. Now there is no need to distinguish during runtime which variant of -t has been requested, which simplifies the code and makes it more robust.
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commit
b0bd7575abaa12b00e7a1ee9ae05ff737b956e99
: Replaced TNT with EigenNote
EIGEN_DONT_VECTORIZE define is required with the PGI C++ compiler, as otherwise the code doesn't compile due to a multiply defined function.
More details are on the PGI User Forums topic "Error compiling with Eigen library": https://www.pgroup.com/userforum/viewtopic.php?t=6690
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commit
33b8674a2add039d925d6544a72c2fdb8500ec7a
: Added tronkko-dirent as fallback on WindowsNote
Normally this should only be used for MSVC as MinGW provides dirent.h, but it turns out that the provided dirent.h is not sufficient for our usage.
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commit
b1a68b47744a567776a1a5c9a81a066985b31a6f
: Added printing of a list of references at the end of run -
commit
4d949c37c4ccba7da14db7e2df85dc3987258125
: Used standard C++11 RNG on Solaris and Windows/MSVCNote
PCG fails to build on Solaris and Windows/MSVC. Use instead whatever the compiler and the standard library provide as the default C++11 RNG.
Issues on GitHub:
- Solaris: https://github.com/imneme/pcg-cpp/issues/42
- Windows/MSVC: https://github.com/imneme/pcg-cpp/issues/11
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commit
a17870831cd92307ee3f60354925f132996f7555
: Replaced custom Bjarne-inspired RNG with PCGNote
PCG (pcg-random.org) is a family of simple fast space-efficient statistically good algorithms for random number generation. Unlike many general-purpose RNGs, they are also hard to predict.
The C++ implementation follows the conventions of other C++11-style generators (WG21 N3551) and is available under the Apache License version 2.0.
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commit
dd23f2c17310f325156d721c3c45bd9c46daa244
: Fixed memory leaks in OccupancyTest - commit
27539c4a125ec6941f1104f3e9c5e848cb46dc89
: Fixed memory leak in RbtRealGrid - commit
88116cb6a4134944cf593d1ffdb0833d9898c90b
: Used standard C++ containers instead of Rbt typedefs and removed RbtContainers.h - commit
eb296f7f4392fb35a25518b450fc3092d4c8130b
: Uniformized the help text of all rb* commands - commit
b78d72bb2f4f645a43f17ac676f8774b74957fa9
: Fixed linking of rb* commands with MSVC -
commit
a6ac7a6e473c1f842d0f6a83dc89c35639f5938d
: Increased the fine threshold so MSVC passes the testsNote
Changed 1E-10 to 1E-7, i.e. reduced by three orders of magnitude. 1E-4 is used by default so 1E-7 is still finer than that.
Unlike MSVC, GCC and Clang pass the tests with threshold down to 1E-14.
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commit
83f4f033570f1d0b02ef6fb7155d28027b979de9
: Fixed numerical type conversion warnings reported by MSVC -
commit
686d9ec7a7c58063bd85b01774a05aa85c4003b0
: Added getters for accessing static member variablesNote
MSVC doesn't export static member variables as symbols. Replaced access to these variables with getters returning a (const) reference.
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commit
afe5f41ee03a823a8b2d2b66995e2f2c5854e24b
: Fixed linking on Windows with MSVCNote
Introduced a macro for __declspec(dllexport) and added where necessary.
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commit
6d519ade49a9efc5d0bc8bd272de72a27d54d4d8
: Added GoogleTest fallback from Wrap DB -
commit
428411e5ab41cbe886e11e2de2c208e12a2db339
: Changed testing to run rbcavity before unit testsNote
This solution is suboptimal as it polutes the source directory with the generated .as files, but it is still far more convenient than having to manually run rbcavity before running the tests.
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commit
db7745e496f7897d42a11949cbca898a8db88b55
: Changed testing to run rbdock after unit testsNote
Cleaned up test checker Python script and made it compatible with Python 3, but decided not to use it because the results (that depend on a random number generator) weren't similar enough.
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commit
592f18a91e952bb6bd3e31f1ed08ca13c6a22adc
: Fixed compiling on Windows with MSVCNote
Defined M_PI where needed, added include <iterator> and <functional> where they are missing, replaced static variable size array allocation with dynamic allocation, and avoided using macro names from winbase.h (and possibly others):
- max -> fintmax
- FindAtom -> FindAtomInList
- GetAtomName -> GetName
- GetCurrentDirectory -> GetCurrentWorkingDirectory
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commit
eca8b29eedda2cfd101db462fc5304499102acb8
: Removed using std::type statements for containers - commit
6c7f6fd9373ea114b331c2a0abf40dd973921eb5
: Fixed building on Solaris (_P is a system macro) -
commit
1787ad6a78edab58d15581c1a53faeee68b01e7a
: Renamed Tutorials to User guideNote
Also added Docking strategies section to Tutorials, moved and retitled from Reference guide's Common use cases section.
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commit
1e3d91a201054d2114816f40036ed5f6decd3665
: Updated Sphinx-generated HTML documentation styleNote
- changed the document font to Bitter ht
- changed the colors to match the logo purple and blue
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commit
86c5d1d5b7fe2f8b552ad452a534041d694c77ee
: Designed new modern style logo (inspired by original rDock logo) - commit
c4ed50bb646f78316ea8daed324934df9122ca3c
: Removed, commented out, or used nearly all unused variables - commit
4d1a083aad235eeb70f4a0f789696e1c13816356
: Added return statements in functions returning non-void - commit
4602c90b62efbb413dfe68530c713a47a085ff48
: Adopted both No Code of Conduct and Code of Merit - commit
a6f5d0f54fcb7ece134a676579e2b01733fd7238
: Removed (and replaced) obsolete headers malloc.h and sys/dir.h - commit
d3246604dc3a4a25fdfcac14e96ea96f78f5e9c1
: Replaced deprecated headers with cheader equivalents - commit
f965de764e377d960199aeab39543e2427ab8e72
: Replaced NULL with nullptr (recommended in C++11) - commit
c1b1264a8c5ebd72a43ec8af4a05ea1369a7337c
: Removed throw() from function defs (deprecated in C++11) - commit
5d26263d4e8858b27e8b8b2274c50dd3403e45a6
: Removed usage of using (namespace) std(::) except for containers - commit
b41666acc8e8118c892a80ee05ea35f965f9d567
: Changed void main() to int main() - commit
39935e2324184c00e7e40914a615839025394b19
: Used standard C++ types instead of Rbt* typedefs and removed RbtTypes.h - commit
bdf10247ff757e192706969e7d8d71b69d281e5a
: Replaced RbtString with std::string - commit
4fe4d88cf296f4efcfa6fe3e4aa541faac34ec46
: De-GNUify: std::_Ios_Openmode -> std::ios_base::openmode -
commit
ee7dd4b1de5e8aa57c88e88e531b1a4822151ffe
: Adopted the LLVM coding styleNote
For now, just ran clang-format on the existing code without changing variable and function names and documented the new coding standards (LLVM coding standards with our additions).
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commit
6a04065d4bd47104eba123a28f2837d925a4c5d6
: Removed ISO/IEC 8859 characters from RbtSmarts.cxx - commit
f8ccd3fe06b3e84697a5a2449855406806920ac9
: Replaced no-break space (\xC2\xA0) with space (\x20) -
commit
d3a8630bdcf5bef6609870fe9a17fb0433d7b366
: Removed extra semicolon after member function definitionNote
Also cleaned up two instances of extra semicolon after namespace definition.
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commit
3b9c7185b022399cb760219cded5a71c2a344ff4
: Started writing Developer guideNote
Covered target platforms, build system, documentation, and versioning.
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commit
99b686d3bc4955951c628975d235781cebd9ec7a
: Cleaned up reStructuredText of Reference guide - commit
2e8c4a63af686ac57291969fb93db76773614288
: Used getopt() in place of popt and removed popt dependency - commit
5411733bcfcdc2cc43fbbdd98d928b2975c58eea
: Added README file in markdown format - commit
ea41c6f43f4d4e8d20a5d04fe3c6514315595c90
: Assimilated the content from rdock.sourceforge.net - commit
9b0e8a9dc5d854381b2ae8add8f6a50ee804793f
: Removed duplicate license plain text files and added markdown - commit
9830775ada180ac28182567db854f97725042e74
: Cleaned up reStructuredText of Getting started guide - commit
34201cb4635145d4382a9f1c645ebd8221ca44a4
: Introduced placeholder for reStructuredText documentation - commit
828d5e4149c4f541ebcbe653d93bc9d75a22c777
: Replaced PDF docs with newer versions from SourceForge -
commit
55b7bdd413176b94bd76715b74bbfaefa9f38713
: Replaced tmake with Meson build systemNote
The program builds with GCC as C++11 and C++11 will make future changes far easier so this will be the required version from now on.
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commit
5d420d3190664db2c17722e9bd608d0b205dcc92
: Added workaround for empty parameter strings - commit
8c7bd8363d8e8db51608480430cb12df6a8ef53c
: Fixed compilation of tests - commit
8933bcfc584591dc9461dc0d1e382de23a9128d2
: Fixed compilation of executable programs and library
systemd
Description: home page, Wikipedia page.
Commits listed from repository on GitHub:
- commit
ab59f4123a6f9c32953e522cc9afc5fc610d59ca
: timedatectl: trim non-local RTC warning to 80 chars wide
Trantor
Description: home page.
Commits listed from repository on GitHub:
-
commit
bf9eae841366758810c8ff121ede0eef592c6420
: Added support for Solaris (#94)Note
Tested on illumos distribution OmniOS Community Edition.
-
commit
d74f4475ef317da8fc968f1fb6aa8dbcc076c933
: Use env to find bash in build.sh script to support FreeBSD (#87)Note
Co-authored-by: Vedran Miletić vedran.miletic@rxtx.tech
Author: Vedran Miletić