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* Remove # $FreeBSD$ from Makefiles.Mathieu Arnold2021-04-061-1/+0
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* Pet portlint (trailing whitespace).Mark Linimon2019-11-081-1/+1
| | | | Notes: svn path=/head/; revision=517024
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2019-07-261-1/+1
| | | | | | | | | | | | | | | | | | as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3 to GCC 9.1 under most circumstances now after revision 507371. This includes ports - with USE_GCC=yes or USE_GCC=any, - with USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang, c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib plus, everything INDEX-11 shows with a dependency on lang/gcc9 now. PR: 238330 Notes: svn path=/head/; revision=507372
* Related to revision 499061 bump ports with USES=fortran to have themGerald Pfeifer2019-04-221-1/+1
| | | | | | | | | | benefit from the improved situation where libgcc_s is only used when absolutely necessary. Suggested by: tijl Notes: svn path=/head/; revision=499638
* science/libghemical: fix build with GCC-based architecturesYuri Victorovich2018-12-171-10/+7
| | | | | | | | | | | Some reformatting. Also add USES=gl. PR: 234101 Submitted by: Piotr Kubaj <pkubaj@anongoth.pl> Notes: svn path=/head/; revision=487699
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2018-12-121-1/+1
| | | | | | | | | | | | | | | | | | defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t GCC 8.2 under most circumstances. This includes ports - with USE_GCC=yes or USE_GCC=any, - with USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang, c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib plus, as a double check, everything INDEX-11 showed depending on lang/gcc7. PR: 231590 Notes: svn path=/head/; revision=487272
* science/libint: Update 1.1.6 -> 1.2.1Yuri Victorovich2018-08-271-1/+1
| | | | | | | | | | | | | | | | Port changes: * Remove USES=perl5 (not needed) * Remove static libs * Remove USE_GCC (not needed) * Silence command/remove braces * Update WWW Take maintainership. Bump depending ports because the library list has changed in plist. Notes: svn path=/head/; revision=478259
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2018-07-291-1/+1
| | | | | | | | | | | | | | | | | in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which has now moved from GCC 6 to GCC 7 by default. This includes ports - featuring USE_GCC=yes or USE_GCC=any, - featuring USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and those - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x, c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib. PR: 222542 Notes: svn path=/head/; revision=475857
* science/libghemical: Fix C++11 errors on 12Yuri Victorovich2018-07-261-0/+1
| | | | | | | Add CXXFLAGS+=-Wno-c++11-narrowing Notes: svn path=/head/; revision=475349
* science/libghemical: Use ${GCC_DEFAULT} in CONFIGURE_ENVYuri Victorovich2018-07-181-1/+1
| | | | | | | Improve the workaround line. Notes: svn path=/head/; revision=474844
* science/libghemical: Remove BROKEN/DEPRECATED labelsYuri Victorovich2018-07-182-6/+10
| | | | | | | | | | | | | | | The main cause of the breakage was a libary linkage problem in science/mpqc which is now fixed. Other port changes: * Add LICENSE/LICENSE_FILE * Add missing items to LIB_DEPENDS * Add workaround for the problem that configure fails due to the libgcc.so mismatch. By using CONFIGURE_ENV, preload libgcc.so from the gcc package. * Update WWW Notes: svn path=/head/; revision=474834
* science/libghemical: Take maintainership.Yuri Victorovich2018-07-171-1/+1
| | | | | | | It has been labeled DEPRECATED, but I will fix it. Notes: svn path=/head/; revision=474790
* Deprecate ports broken for more than 5 monthsAntoine Brodin2018-07-171-0/+2
| | | | Notes: svn path=/head/; revision=474787
* Bump PORTREVISIONs of all users of math/mpc that we just updated toGerald Pfeifer2018-03-101-1/+1
| | | | | | | version 1.1.0 (via revision 464079). Notes: svn path=/head/; revision=464084
* Mark BROKEN: fails to configureAntoine Brodin2018-01-201-0/+2
| | | | | | | | | | | | checking for gcc... cc checking whether the C compiler works... no configure: error: in `/wrkdirs/usr/ports/science/libghemical/work/libghemical-3.0.0': configure: error: C compiler cannot create executables Reported by: pkg-fallout Notes: svn path=/head/; revision=459494
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2017-09-101-1/+1
| | | | | | | | | | | | | | | | | (via Mk/bsd.default-versions.mk and lang/gcc) which has moved from GCC 5.4 to GCC 6.4 under most circumstances. This includes ports - with USE_GCC=yes or USE_GCC=any, - with USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and - with USES=compiler specifying openmp, nestedfct, c++11-lib, c++11-lang, c++14-lang, c++0x, c11, or gcc-c++11-lib. PR: 219275 Notes: svn path=/head/; revision=449591
* Revision bump of all ports with USE_GL after consolidation of mesa-libsMatthew Rezny2017-05-231-1/+1
| | | | | | | | Approved by: swills (mentor) Differential Revision: https://reviews.freebsd.org/D10845 Notes: svn path=/head/; revision=441503
* Bump PORTREVISIONs for ports depending on the canonical version of GCC andGerald Pfeifer2017-04-011-1/+1
| | | | | | | | | | | | | | | | | lang/gcc which have moved from GCC 4.9.4 to GCC 5.4 (at least under some circumstances such as versions of FreeBSD or platforms). This includes ports - with USE_GCC=yes or USE_GCC=any, - with USES=fortran, - using using Mk/bsd.octave.mk which in turn has USES=fortran, and - with USES=compiler specifying openmp, nestedfct, c++11-lib, c++14-lang, c++11-lang, c++0x, c11, or gcc-c++11-lib. PR: 216707 Notes: svn path=/head/; revision=437439
* Bump PORTREVISIONS for ports depending on the canonical version of GCC andGerald Pfeifer2016-12-071-1/+1
| | | | | | | | | | | | | | | | | | lang/gcc which have moved from GCC 4.8.5 to GCC 4.9.4 (at least under some circumstances such as versions of FreeBSD or platforms), part II. The first part covered ports with USE_GCC=yes, USE_GCC=any, or one of gcc-c++11-lib, openmp, nestedfct, c++11-lib as well as c++14-lang, c++11-lang, c++0x, c11 requested via USES=compiler. This adds ports with USES=fortran and ports using Mk/bsd.octave.mk which in turn has USES=fortran. PR: 214965 Reported by: thierry Notes: svn path=/head/; revision=428057
* Remove ${PORTSDIR}/ from dependencies, categories r, s, t, and u.Mathieu Arnold2016-04-011-5/+5
| | | | | | | | With hat: portmgr Sponsored by: Absolight Notes: svn path=/head/; revision=412349
* - Upadate biology/mopac to version 1.15Pawel Pekala2014-12-161-4/+4
| | | | | | | | | | | | - Bump affected ports - Switch ports to new mastersite, add LICENSE - Reformat ports pkg descriptions PR: 194493 Submitted by: tkato432@yahoo.com Notes: svn path=/head/; revision=374828
* science/mpqc: Don't override libtool -version-info, bump dependent portsJohn Marino2014-09-251-1/+1
| | | | | | | | | | | | We accept SHLIB version changes when moving to USE=libtool, so stop overriding it with the intent of prevent library version changes, which is considered the better approach over the long term. Two ports are dependent on mpqc, so bump them for the second time today. requested by: tijl@ Notes: svn path=/head/; revision=369254
* science: Fix mpqc, libint and unbreak ghemical, and libghemical atomicallyJohn Marino2014-09-252-15/+8
| | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | science/ghemical would not link because libghemical.so (from science/ libghemical port) had never been properly linked. Links to all mpqc "SC" libraries were added to LDFLAGS to rectify this. The configure breakage and solution is described below. After the version of lang/gcc was bumped from 4.7 to 4.8, science/libghemical ceased to configure and it was marked broken. After recreating the conftest, it was discovered that two versions incompatible versions of libgcc_s.so were getting pulled in by the realtime linker: the base version and the gcc48 ports version. The base version was getting pulled in by science/libint. To unbreak libghemical, libint is now built with lang/gcc. It was necessary to force libtool to link with LDFLAGS that Mk/bsd.gcc.mk sets so that the runpaths match across libraries used by libghemical. When science/mpqc was staged, it utilized libtool which renumbered all the library versions from 8.0.1 to 7.1.0. This was caused by the age component being greater than 0. By patching configure.in with a new version, we can generate major SHLIB of 8 again. While here, fix the bin/sc-config tool to remove a bad include cflag. With this fixes, science/ghemical builds successfully. Bump all 4 of these ports, remove any BROKEN designation and remove redundant @dirrm in pkg-plist Notes: svn path=/head/; revision=369236
* Mark BROKEN: Fails to configureAntoine Brodin2014-09-131-0/+2
| | | | | | | | | | | | | | | checking for main in -llapack... yes checking for sc-config... /usr/local/bin/sc-config checking SC - version... no *** Could not run SC test program, checking why... *** The test program compiled, but did not run. This usually means *** that the run-time linker is not finding SC or finding the wrong *** version of SC. Reported by: pkg-fallout Notes: svn path=/head/; revision=368144
* Update the default version of GCC in the Ports Collection from GCC 4.7.4Gerald Pfeifer2014-09-101-1/+1
| | | | | | | | | | | | | to GCC 4.8.3. Part II, Bump PORTREVISIONs. PR: 192025 Tested by: antoine (-exp runs) Approved by: portmgr (implicit) Notes: svn path=/head/; revision=367888
* - Switch to USES=libtool, drop .la filesDmitry Marakasov2014-08-062-5/+5
| | | | | | | | - Stagify - Strip libraries Notes: svn path=/head/; revision=364199
* Reset maintainership for ports not staged with no pending PRBaptiste Daroussin2014-07-241-1/+1
| | | | | | | With hat: portmgr Notes: svn path=/head/; revision=362828
* Modernize LIB_DEPENDSBaptiste Daroussin2014-07-141-2/+2
| | | | | | | With hat: portmgr Notes: svn path=/head/; revision=361812
* Update the default version of GCC used in the Ports Collection fromGerald Pfeifer2014-03-101-1/+1
| | | | | | | | | | | | | | GCC 4.6.4 to GCC 4.7.3. This entails updating the lang/gcc port as well as changing the default in Mk/bsd.default-versions.mk. Part II, Bump PORTREVISIONs. PR: 182136 Supported by: Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports) Tested by: bdrewery (two -exp runs) Notes: svn path=/head/; revision=347809
* Convert all USE_FORTRAN=yes to "USES=fortran, USE_GCC=yes". In most casesTijl Coosemans2014-02-161-3/+3
| | | | | | | | | | | | | | USE_GCC=yes has been omitted though. Remove USE_FORTRAN handling from bsd.port.mk and bsd.gcc.mk. Minor cleanups in some ports like USE_GMAKE, NOPORTDOCS,... Exp-run: bdrewery Approved by: portmgr (bdrewery) Notes: svn path=/head/; revision=344614
* Update to libmpc version 1.0.1 which brings the following fixes:Gerald Pfeifer2013-10-261-0/+1
| | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | - Switched to automake 1.11.6, see CVE-2012-3386. - #14669: Fixed extraction of CC from gmp.h. - Fixed case of intermediate zero real or imaginary part in mpc_fma, found by hydra with GMP_CHECK_RANDOMIZE=1346362345. This is on top of the following changes from version 1.0 - Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no invariant sections) for the documentation. - 100% of all lines are covered by tests - Renamed functions . mpc_mul_2exp to mpc_mul_2ui . mpc_div_2exp to mpc_div_2ui - 0^0, which returned (NaN,NaN) previously, now returns (1,+0). - Removed compatibility with K&R compilers, which was untestable due to lack of such compilers. - New functions . mpc_log10 . mpc_mul_2si, mpc_div_2si - Speed-ups . mpc_fma - Bug fixes . mpc_div and mpc_norm now return a value indicating the effective rounding direction, as the other functions. . mpc_mul, mpc_sqr and mpc_norm now return correct results even if there are over- or underflows during the computation. . mpc_asin, mpc_proj, mpc_sqr: Wrong result when input variable has infinite part and equals output variable is corrected. . mpc_fr_sub: Wrong return value for imaginary part is corrected. Convert to the new LIB_DEPENDS standard and remove hard-coded .so versions from a couple of dependent ports. Bump PORTREVISIONS of all dependent ports. PR: 183141 Approved by: portmgr (bdrewery) Notes: svn path=/head/; revision=331644
* Add NO_STAGE all over the place in preparation for the staging support (cat: ↵Baptiste Daroussin2013-09-201-0/+1
| | | | | | | science) Notes: svn path=/head/; revision=327767
* - Convert USE_GETTEXT to USES (part 1)Alex Kozlov2013-04-241-2/+1
| | | | | | | Approved by: portmgr (bapt) Notes: svn path=/head/; revision=316407
* Finish converting the whole ports tree to USES=pkgconfigBaptiste Daroussin2013-04-231-2/+1
| | | | Notes: svn path=/head/; revision=316355
* This changes almost all the "gnomehack" only USE_GNOME cases to USES= pathfix.Eitan Adler2013-03-191-1/+1
| | | | | | | | | | | | If a port used other USE_GNOME items it was untouched. The ports that used other USES were fixed by hand. PR: ports/177081 Reviewed by: bapt Approved by: portmgr (miwi) Notes: svn path=/head/; revision=314640
* * Update to 3.0.0.Maho Nakata2013-01-084-175/+8
| | | | | | | | | * Some build cleanups. [1] Submitted by: bapt@ [1] Notes: svn path=/head/; revision=310071
* - Add an explicit dependency on gettext to fix build on system where everythingBaptiste Daroussin2013-01-071-5/+4
| | | | | | | | | | | | is built without NLS While here: - Trim headers - Convert USE_GNOME=pkgconfig -> USE_PKGCONFIG= build Approved by: maho (maintainer) Notes: svn path=/head/; revision=310024
* science/openbabel:Max Brazhnikov2012-12-111-2/+2
| | | | | | | | | | | | | | | | - Update openbabel to 2.3.2 - Switch to CMake build system - Add PYTHON and CAIRO options - Don't rename babel binary, mark conflict with ancient biology/babel science/py-openbabel: - Merge py-openbabel to openbabel other: - chase openbabel update Notes: svn path=/head/; revision=308694
* Use libdata/pkgconfig instead of lib/pkgconfig,Maho Nakata2011-08-252-4/+3
| | | | | | | | | and bump portrevision. PR: naddy Notes: svn path=/head/; revision=280377
* - remove MD5Olli Hauer2011-07-031-1/+0
| | | | Notes: svn path=/head/; revision=276984
* Kill EOL whitespace.Alexey Dokuchaev2011-06-231-1/+1
| | | | Notes: svn path=/head/; revision=276092
* - DISTNAME= ${PORTNAME}-${PORTVERSION} is the default and not needed.Philip M. Gollucci2010-12-291-1/+0
| | | | | | | | | | PR: ports/153292 Submitted by: myself (pgollucci) Tested by: -exp run by pav Approved by: portmgr (pav) Notes: svn path=/head/; revision=267133
* Fix build.Maho Nakata2010-09-193-44/+168
| | | | Notes: svn path=/head/; revision=261417
* Autotools update. Read ports/UPDATING 20100915 for details.Ade Lovett2010-09-151-1/+6
| | | | | | | | Approved by: portmgr (for Mk/bsd.port.mk part) Tested by: Multiple -exp runs Notes: svn path=/head/; revision=261230
* - Mark BROKEN: does not compilePav Lucistnik2010-03-021-0/+2
| | | | | | | | Reported by: pointyhat Feature safe: yes Notes: svn path=/head/; revision=250513
* remove unnecessary file.Maho Nakata2009-11-061-21/+0
| | | | | | | Spotted by: QAT Notes: svn path=/head/; revision=243870
* Update to 2.99.1 and unbreak.Maho Nakata2009-11-054-26/+48
| | | | | | | Feature safe: yes Notes: svn path=/head/; revision=243823
* - Mark BROKEN on 7.X and 8.XPav Lucistnik2009-09-231-0/+4
| | | | | | | | Reported by: pointyhat Feature safe: yes Notes: svn path=/head/; revision=241991
* Bump PORTREVISION for everything that sets USE_FORTRAN=yes which nowGerald Pfeifer2009-09-131-1/+1
| | | | | | | | | implies lang/gcc44 up from lang/gcc43. Approved by: portmgr Notes: svn path=/head/; revision=241308
* Fix build with gcc43.Maho Nakata2009-02-141-0/+21
| | | | | | | | | | | | Fix obtained from http://www.bioinformatics.org/pipermail/ghemical-devel/2008-August/000752.html http://www.bioinformatics.org/pipermail/ghemical-devel/2008-July/000742.html . Spotted by: pav Notes: svn path=/head/; revision=228256