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Port details
jdftx Software for joint density functional theory in chemistry
1.7.0_5 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 1.7.0_4Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-01 06:50:02
Last Update: 2024-01-01 11:49:51
Commit Hash: f2489ab
License: GPLv3+
WWW:
https://jdftx.org/
Description:
JDFTx is a software package for quantum chemistry computations. JDFTx supports all the standard functionality present in any electronic DFT software. It supports several semilocal, meta-GGA and EXX-hybrid exchange-correlation functions, with additional options available by linking to LibXC [18]. DFT+U [5] is available for treating localized electrons. Pair potential dispersion corrections [10] are available for including van der Waals interactions. JDFTx supports several formats of norm-conserving and ultrasoft pseudopotentials and comes pre-installed with an opens-ource library for each. With truncated Coulomb interactions [27], JDFTx enables accurate calculations of systems of any dimensionality from 0 to 3: molecules, wires, slabs/2D materials and bulk.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (914 items)
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  1. @ldconfig
  2. /usr/local/share/licenses/jdftx-1.7.0_5/catalog.mk
  3. /usr/local/share/licenses/jdftx-1.7.0_5/LICENSE
  4. /usr/local/share/licenses/jdftx-1.7.0_5/GPLv3+
  5. bin/jdftx
  6. bin/phonon
  7. bin/wannier
  8. include/jdftx/commands/ParamList.h
  9. include/jdftx/commands/command.h
  10. include/jdftx/commands/minimize.h
  11. include/jdftx/commands/parser.h
  12. include/jdftx/config.h
  13. include/jdftx/core/BlasExtra.h
  14. include/jdftx/core/BlasExtra_internal.h
  15. include/jdftx/core/Blip.h
  16. include/jdftx/core/Coulomb.h
  17. include/jdftx/core/CoulombIsolated.h
  18. include/jdftx/core/CoulombKernel.h
  19. include/jdftx/core/CoulombPeriodic.h
  20. include/jdftx/core/CoulombSlab.h
  21. include/jdftx/core/CoulombWire.h
  22. include/jdftx/core/Coulomb_ExchangeEval.h
  23. include/jdftx/core/Coulomb_internal.h
  24. include/jdftx/core/EnergyComponents.h
  25. include/jdftx/core/GpuKernelUtils.h
  26. include/jdftx/core/GpuUtil.h
  27. include/jdftx/core/GridInfo.h
  28. include/jdftx/core/H5io.h
  29. include/jdftx/core/LatticeUtils.h
  30. include/jdftx/core/LoopMacros.h
  31. include/jdftx/core/MPIUtil.h
  32. include/jdftx/core/ManagedMemory.h
  33. include/jdftx/core/Minimize.h
  34. include/jdftx/core/MinimizeParams.h
  35. include/jdftx/core/Minimize_lBFGS.h
  36. include/jdftx/core/Minimize_linmin.h
  37. include/jdftx/core/Operators.h
  38. include/jdftx/core/Operators_internal.h
  39. include/jdftx/core/Pulay.h
  40. include/jdftx/core/PulayParams.h
  41. include/jdftx/core/RadialFunction.h
  42. include/jdftx/core/Random.h
  43. include/jdftx/core/ScalarField.h
  44. include/jdftx/core/ScalarFieldArray.h
  45. include/jdftx/core/ScalarFieldIO.h
  46. include/jdftx/core/SphericalHarmonics.h
  47. include/jdftx/core/Spline.h
  48. include/jdftx/core/Thread.h
  49. include/jdftx/core/Units.h
  50. include/jdftx/core/Util.h
  51. include/jdftx/core/VectorField.h
  52. include/jdftx/core/WignerSeitz.h
  53. include/jdftx/core/matrix.h
  54. include/jdftx/core/matrix3.h
  55. include/jdftx/core/scalar.h
  56. include/jdftx/core/scaled.h
  57. include/jdftx/core/string.h
  58. include/jdftx/core/tensor3.h
  59. include/jdftx/core/vector3.h
  60. include/jdftx/electronic/BandDavidson.h
  61. include/jdftx/electronic/BandMinimizer.h
  62. include/jdftx/electronic/Basis.h
  63. include/jdftx/electronic/ColumnBundle.h
  64. include/jdftx/electronic/ColumnBundleOperators_internal.h
  65. include/jdftx/electronic/ColumnBundleTransform.h
  66. include/jdftx/electronic/Control.h
  67. include/jdftx/electronic/DOS.h
  68. include/jdftx/electronic/Dump.h
  69. include/jdftx/electronic/DumpBGW_internal.h
  70. include/jdftx/electronic/Dump_internal.h
  71. include/jdftx/electronic/ElecInfo.h
  72. include/jdftx/electronic/ElecMinimizer.h
  73. include/jdftx/electronic/ElecVars.h
  74. include/jdftx/electronic/ElectronScattering.h
  75. include/jdftx/electronic/Energies.h
  76. include/jdftx/electronic/Everything.h
  77. include/jdftx/electronic/ExCorr.h
  78. include/jdftx/electronic/ExCorr_OrbitalDep_GLLBsc.h
  79. include/jdftx/electronic/ExCorr_internal.h
  80. include/jdftx/electronic/ExCorr_internal_GGA.h
  81. include/jdftx/electronic/ExCorr_internal_LDA.h
  82. include/jdftx/electronic/ExCorr_internal_mGGA.h
  83. include/jdftx/electronic/ExactExchange.h
  84. include/jdftx/electronic/IonicDynamics.h
  85. include/jdftx/electronic/IonicDynamicsParams.h
  86. include/jdftx/electronic/IonInfo.h
  87. include/jdftx/electronic/IonicMinimizer.h
  88. include/jdftx/electronic/LatticeMinimizer.h
  89. include/jdftx/electronic/Polarizability.h
  90. include/jdftx/electronic/RadialSchrodinger.h
  91. include/jdftx/electronic/SCF.h
  92. include/jdftx/electronic/SCFparams.h
  93. include/jdftx/electronic/SpeciesInfo.h
  94. include/jdftx/electronic/SpeciesInfo_internal.h
  95. include/jdftx/electronic/Symmetries.h
  96. include/jdftx/electronic/TetrahedralDOS.h
  97. include/jdftx/electronic/VanDerWaals.h
  98. include/jdftx/electronic/VanDerWaalsD2.h
  99. include/jdftx/electronic/VanDerWaalsD3.h
  100. include/jdftx/electronic/VanDerWaalsD3_data.h
  101. include/jdftx/electronic/VanDerWaalsD3_data_C6.h
  102. include/jdftx/electronic/Vibrations.h
  103. include/jdftx/electronic/symbols.h
  104. include/jdftx/fluid/ConvCoupling.h
  105. include/jdftx/fluid/ErfFMTweight.h
  106. include/jdftx/fluid/Euler.h
  107. include/jdftx/fluid/Fex.h
  108. include/jdftx/fluid/Fex_H2O_BondedVoids.h
  109. include/jdftx/fluid/Fex_H2O_FittedCorrelations.h
  110. include/jdftx/fluid/Fex_H2O_FittedCorrelations_internal.h
  111. include/jdftx/fluid/Fex_LJ.h
  112. include/jdftx/fluid/Fex_ScalarEOS.h
  113. include/jdftx/fluid/Fex_ScalarEOS_internal.h
  114. include/jdftx/fluid/FluidComponent.h
  115. include/jdftx/fluid/FluidMixture.h
  116. include/jdftx/fluid/FluidSolver.h
  117. include/jdftx/fluid/FluidSolverParams.h
  118. include/jdftx/fluid/Fmix.h
  119. include/jdftx/fluid/IdealGas.h
  120. include/jdftx/fluid/IdealGasMonoatomic.h
  121. include/jdftx/fluid/IdealGasMuEps.h
  122. include/jdftx/fluid/IdealGasPomega.h
  123. include/jdftx/fluid/IdealGasPsiAlpha.h
  124. include/jdftx/fluid/LinearPCM.h
  125. include/jdftx/fluid/MixedFMT.h
  126. include/jdftx/fluid/MixedFMT_internal.h
  127. include/jdftx/fluid/Molecule.h
  128. include/jdftx/fluid/NonlinearPCM.h
  129. include/jdftx/fluid/PCM.h
  130. include/jdftx/fluid/PCM_internal.h
  131. include/jdftx/fluid/S2quad.h
  132. include/jdftx/fluid/SO3quad.h
  133. include/jdftx/fluid/SaLSA.h
  134. include/jdftx/fluid/TranslationOperator.h
  135. include/jdftx/fluid/TranslationOperator_internal.h
  136. include/jdftx/fluid/VDWCoupling.h
  137. include/jdftx/phonon/Phonon.h
  138. include/jdftx/wannier/DefectSupercell.h
  139. include/jdftx/wannier/Wannier.h
  140. include/jdftx/wannier/WannierMinimizer.h
  141. include/jdftx/wannier/WannierMinimizerFD.h
  142. include/jdftx/wannier/WannierMinimizerRS.h
  143. lib/libjdftx.so
  144. share/jdftx/pseudopotentials/GBRV/COPYING
  145. share/jdftx/pseudopotentials/GBRV/README
  146. share/jdftx/pseudopotentials/GBRV/ag_lda.uspp
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  871. share/jdftx/pseudopotentials/SG15/Tl_ONCV_PBE.pulay
  872. share/jdftx/pseudopotentials/SG15/Tl_ONCV_PBE.upf
  873. share/jdftx/pseudopotentials/SG15/V_ONCV_PBE-1.0.pulay
  874. share/jdftx/pseudopotentials/SG15/V_ONCV_PBE-1.0.upf
  875. share/jdftx/pseudopotentials/SG15/V_ONCV_PBE.pulay
  876. share/jdftx/pseudopotentials/SG15/V_ONCV_PBE.upf
  877. share/jdftx/pseudopotentials/SG15/W_ONCV_PBE-1.0.pulay
  878. share/jdftx/pseudopotentials/SG15/W_ONCV_PBE-1.0.upf
  879. share/jdftx/pseudopotentials/SG15/W_ONCV_PBE.pulay
  880. share/jdftx/pseudopotentials/SG15/W_ONCV_PBE.upf
  881. share/jdftx/pseudopotentials/SG15/Xe_ONCV_PBE-1.0.pulay
  882. share/jdftx/pseudopotentials/SG15/Xe_ONCV_PBE-1.0.upf
  883. share/jdftx/pseudopotentials/SG15/Xe_ONCV_PBE-1.1.pulay
  884. share/jdftx/pseudopotentials/SG15/Xe_ONCV_PBE-1.1.upf
  885. share/jdftx/pseudopotentials/SG15/Xe_ONCV_PBE.pulay
  886. share/jdftx/pseudopotentials/SG15/Xe_ONCV_PBE.upf
  887. share/jdftx/pseudopotentials/SG15/Y_ONCV_PBE-1.0.pulay
  888. share/jdftx/pseudopotentials/SG15/Y_ONCV_PBE-1.0.upf
  889. share/jdftx/pseudopotentials/SG15/Y_ONCV_PBE.pulay
  890. share/jdftx/pseudopotentials/SG15/Y_ONCV_PBE.upf
  891. share/jdftx/pseudopotentials/SG15/Zn_ONCV_PBE-1.0.pulay
  892. share/jdftx/pseudopotentials/SG15/Zn_ONCV_PBE-1.0.upf
  893. share/jdftx/pseudopotentials/SG15/Zn_ONCV_PBE.pulay
  894. share/jdftx/pseudopotentials/SG15/Zn_ONCV_PBE.upf
  895. share/jdftx/pseudopotentials/SG15/Zr_ONCV_PBE-1.0.pulay
  896. share/jdftx/pseudopotentials/SG15/Zr_ONCV_PBE-1.0.upf
  897. share/jdftx/pseudopotentials/SG15/Zr_ONCV_PBE.pulay
  898. share/jdftx/pseudopotentials/SG15/Zr_ONCV_PBE.upf
  899. share/jdftx/scripts/ase/JDFTx.py
  900. share/jdftx/scripts/ase/README.txt
  901. share/jdftx/scripts/bandstructKpoints
  902. share/jdftx/scripts/binaryToText
  903. share/jdftx/scripts/calcPulay
  904. share/jdftx/scripts/createVASP
  905. share/jdftx/scripts/createXSF
  906. share/jdftx/scripts/dryRunToPDB
  907. share/jdftx/scripts/listEnergy
  908. share/jdftx/scripts/plotConvergence
  909. share/jdftx/scripts/printStackTrace
  910. share/jdftx/scripts/xyzToIonpos
  911. share/jdftx/scripts/xyzToIonposOpt
  912. @owner
  913. @group
  914. @mode
Collapse this list.
Dependency lines:
  • jdftx>0:science/jdftx
To install the port:
cd /usr/ports/science/jdftx/ && make install clean
To add the package, run one of these commands:
  • pkg install science/jdftx
  • pkg install jdftx
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: jdftx
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1643474775 SHA256 (shankar1729-jdftx-v1.7.0_GH0.tar.gz) = 876374efbf785d02fdf547f7cf64deedc6f5618f5449e775a4c20b28f1696e3d SIZE (shankar1729-jdftx-v1.7.0_GH0.tar.gz) = 57393388

Packages (timestamps in pop-ups are UTC):
jdftx
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-1.7.0_5------
FreeBSD:13:quarterly-1.7.0_5------
FreeBSD:14:latest-1.7.0_5------
FreeBSD:14:quarterly-1.7.0_5------
FreeBSD:15:latest-1.7.0_5n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. bash : shells/bash
  2. cmake : devel/cmake-core
  3. gfortran12 : lang/gcc12
  4. as : devel/binutils
Test dependencies:
  1. bash : shells/bash
Runtime dependencies:
  1. bash : shells/bash
  2. gfortran12 : lang/gcc12
Library dependencies:
  1. libblas.so : math/blas
  2. libcblas.so : math/cblas
  3. libfftw3.so : math/fftw3
  4. libgsl.so : math/gsl
  5. liblapack.so : math/lapack
  6. libxc.so : science/libxc
  7. libmpich.so : net/mpich
There are no ports dependent upon this port

Configuration Options:
===> The following configuration options are available for jdftx-1.7.0_5: HDF5=off: HDF-5 data format support LIBXC=on: Use LibXC for additional exchange-correlation functionals MPI=on: MPI (Message Passing Interface) support OCTAVE=off: With Octave support (only for one script: dryRunToPDB) SCALAPACK=off: Enable ScaLAPACK support ===> Use 'make config' to modify these settings
Options name:
science_jdftx
USES:
compiler:c++11-lang cmake fortran localbase:ldflags shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/shankar1729/jdftx/tar.gz/v1.7.0?dummy=/
Collapse this list.

Number of commits found: 26

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
1.7.0_5
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
1.7.0_4
10 Dec 2023 10:23:11
commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2
1.7.0_3
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
1.7.0_2
05 Nov 2022 14:47:18
commit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454b files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
science/*: bump PORTREVISION in consumers of libXC
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
1.7.0_1
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
1.7.0_1
20 Jul 2022 14:35:24
commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
science/hdf5: bump PORTREVISION of consumers

The SO-version increased in the update to 1.12.2 in
a43418b81530f7e897abfbe18dd59f44265a1a0f .

Reported by:	VVD <vvd@unislabs.com>
1.7.0
29 Jan 2022 17:24:02
commit hash: 1ab995ac37cb939bf67a0b0bbff7092bd31a7afbcommit hash: 1ab995ac37cb939bf67a0b0bbff7092bd31a7afbcommit hash: 1ab995ac37cb939bf67a0b0bbff7092bd31a7afbcommit hash: 1ab995ac37cb939bf67a0b0bbff7092bd31a7afb files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/jdftx: Update 1.6.0 -> 1.7.0

Reported by:	portscout
1.6.0_2
12 Jan 2022 19:41:22
commit hash: 654acd81409d31495f8b1b11db61e1afbf640981commit hash: 654acd81409d31495f8b1b11db61e1afbf640981commit hash: 654acd81409d31495f8b1b11db61e1afbf640981commit hash: 654acd81409d31495f8b1b11db61e1afbf640981 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
math/gsl: bump portrevision of consumers after update to 2.7.1

PR:		260201
1.6.0_1
16 Jun 2021 19:31:27
commit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096ecommit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096ecommit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096ecommit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096e files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
math/gsl: update to 2.7

From [1]

* What is new in gsl-2.7:
	* fixed doc bug for gsl_histogram_min_bin (lhcsky at 163.com)
	* fixed bug #60335 (spmatrix test failure, J. Lamb)
	* fixed bug #36577
	* clarified documentation on interpolation accelerators (V. Krishnan)
	* fixed bug #45521 (erroneous GSL_ERROR_NULL in ode-initval2, thanks to M.
Sitte)
	* fixed doc bug #59758
	* fixed bug #58202 (rstat median for n=5)
	* added support for native C complex number types in gsl_complex
	   when using a C11 compiler
	* upgraded to autoconf 2.71, automake 1.16.3, libtool 2.4.6
(Only the first 15 lines of the commit message are shown above View all of this commit message)
1.6.0
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
1.6.0
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
1.6.0
15 Jun 2020 20:29:51
Revision:539278Original commit files touched by this commit
yuri search for other commits by this committer
science/jdftx: Update 1.5.0 -> 1.6.0

Reported by:	portscout
1.5.0_1
25 Oct 2019 23:41:34
Revision:515671Original commit files touched by this commit
tcberner search for other commits by this committer
math/gsl: update to 2.6

- math/p5-Math-GSL does not seem to have any upstream activity to make it work
with this version -> mark it broken
  - this also breaks the two consumers of this port

- biology/gemma: has a conflict with cblas, and is makred broken.

PR:		241363
Exp-run by:	antoine
1.5.0
03 Aug 2019 20:12:33
Revision:507994Original commit files touched by this commit
yuri search for other commits by this committer
science/jdftx: 1.4.2-74 -> 1.5.0

Reported by:	portscout
1.4.2.74_7
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
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
1.4.2.74_6
22 Apr 2019 13:16:34
Revision:499638Original commit files touched by this commit
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
1.4.2.74_5
30 Mar 2019 19:52:19
Revision:497338Original commit files touched by this commit
yuri search for other commits by this committer
science/jdftx: Fix OCTAVE option

PR:		236901
Reported by:	tobik
1.4.2.74_4
05 Jan 2019 22:46:54
Revision:489412Original commit files touched by this commit
sunpoet search for other commits by this committer
Update science/hdf5 to 1.10.4

- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.4#releasenotes
PR:		233070
Submitted by:	wen
1.4.2.74_3
25 Dec 2018 20:25:40
Revision:488341Original commit files touched by this commit
tcberner search for other commits by this committer
Change cmake default behaviour to outsource.

Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".

I tried to only set insource where explictely needed.

PR:		232038
Exp-run by:	antoine
1.4.2.74_3
19 Dec 2018 20:06:22
Revision:487813Original commit files touched by this commit
yuri search for other commits by this committer
science/jdftx: fix build with GCC-based architectures

PR:		234175
Submitted by:	Piotr Kubaj <pkubaj@anongoth.pl>
1.4.2.74_3
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
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
1.4.2.74_2
20 Oct 2018 23:29:28
Revision:482633Original commit files touched by this commit
yuri search for other commits by this committer
science/libxc: Update 3.0.0 -> 4.2.3

PR:		231648
Approved by:	dieterich@ogolem.org (maintainer's timeout; 27 days)
1.4.2.74_1
22 Sep 2018 16:36:38
Revision:480395Original commit files touched by this commit
yuri search for other commits by this committer
Change 20 ports from net/mpich2 to net/mpich

mpich2 is the obsolete version 2.x, mpich is at the current version 3.x

Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack
science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich
1.4.2.74
01 Sep 2018 19:10:47
Revision:478716Original commit files touched by this commit
yuri search for other commits by this committer
science/jdftxL Update 1.4.2-73 -> 1.4.2-74

* The upstream implemented the 'install' target
* Add OCTAVE option for one script
1.4.2.73
01 Sep 2018 06:30:47
Revision:478654Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/jdftx: Software for joint density functional theory in
chemistry

Number of commits found: 26