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Port details
py-mrchem MultiResolution Chemistry
1.1.4 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 1.1.4Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-11-15 03:09:24
Last Update: 2024-01-18 05:54:17
Commit Hash: 2407ac4
Also Listed In: python
License: GPLv3
WWW:
https://github.com/MRChemSoft/mrchem
Description:
MRChem is a numerical real-space code for molecular electronic structure calculations within the self-consistent field (SCF) approximations of quantum chemistry (Hartree-Fock and Density Functional Theory). The code is being developed at the Hylleraas Centre for Quantum Molecular Sciences at UiT - The Arctic University of Norway.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
There is no configure plist information for this port.
Dependency lines:
  • ${PYTHON_PKGNAMEPREFIX}mrchem>0:science/py-mrchem@${PY_FLAVOR}
To install the port:
cd /usr/ports/science/py-mrchem/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-mrchem
  • pkg install py39-mrchem
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
NOTE: This is a Python port. Instead of py39-mrchem listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py39-mrchem
Package flavors (<flavor>: <package>)
  • py39: py39-mrchem
distinfo:
TIMESTAMP = 1705556693 SHA256 (MRChemSoft-mrchem-v1.1.4_GH0.tar.gz) = 80724ee337d3d48af559342ee090d883c90662d2d60a1c5219a6a18c9bd32d6c SIZE (MRChemSoft-mrchem-v1.1.4_GH0.tar.gz) = 4241663

Packages (timestamps in pop-ups are UTC):
py39-mrchem
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-1.1.4------
FreeBSD:13:quarterly-1.1.4------
FreeBSD:14:latest-1.1.4------
FreeBSD:14:quarterly-1.1.4------
FreeBSD:15:latest-1.1.4n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. ninja : devel/ninja
  3. python3.9 : lang/python39
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. mrchem>0 : science/mrchem
  2. python3.9 : lang/python39
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_py-mrchem
USES:
cmake python 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/MRChemSoft/mrchem/tar.gz/v1.1.4?dummy=/
Collapse this list.

Number of commits found: 7

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
1.1.4
18 Jan 2024 05:54:17
commit hash: 2407ac43221aabe6ad94a9efd39dd533aabe73c3commit hash: 2407ac43221aabe6ad94a9efd39dd533aabe73c3commit hash: 2407ac43221aabe6ad94a9efd39dd533aabe73c3commit hash: 2407ac43221aabe6ad94a9efd39dd533aabe73c3 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-mrchem: update 1.1.3 → 1.1.4

Reported by:	portscout
1.1.3
24 Aug 2023 09:13:41
commit hash: f4c92dc95197e15c0147fa8aa6a1ef33b8c07059commit hash: f4c92dc95197e15c0147fa8aa6a1ef33b8c07059commit hash: f4c92dc95197e15c0147fa8aa6a1ef33b8c07059commit hash: f4c92dc95197e15c0147fa8aa6a1ef33b8c07059 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/{,py-}mrchem: update 1.1.2 → 1.1.3

Reported by:	portscout
1.1.2_1
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
1.1.2
23 Jan 2023 08:17:39
commit hash: 695ef4c949962ddac3e17a1cca37a13cf94e7311commit hash: 695ef4c949962ddac3e17a1cca37a13cf94e7311commit hash: 695ef4c949962ddac3e17a1cca37a13cf94e7311commit hash: 695ef4c949962ddac3e17a1cca37a13cf94e7311 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/{,py-}mrchem: Update 1.1.1 -> 1.1.2

Reported by:	portscout
1.1.1
04 Dec 2022 06:48:24
commit hash: 8274ead1bac3de03918f4db9144d2c08e272a916commit hash: 8274ead1bac3de03918f4db9144d2c08e272a916commit hash: 8274ead1bac3de03918f4db9144d2c08e272a916commit hash: 8274ead1bac3de03918f4db9144d2c08e272a916 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/{,py-}mrchem: Update 1.1.0-20221026 -> 1.1.1

Reported by:	portscout
1.1.0.20221026
01 Dec 2022 18:42:20
commit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4acommit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4acommit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4acommit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
*/*: Change DISTVERSION to have a hyphen when it refers to a specific revision

When DISTVERSION contains the real version and a revision modifier,
such modifier should be separated with '-', not '.'
1.1.0.20221026
15 Nov 2022 03:06:48
commit hash: cd3d8ed6d30130940e7c3b36210e791d49310e36commit hash: cd3d8ed6d30130940e7c3b36210e791d49310e36commit hash: cd3d8ed6d30130940e7c3b36210e791d49310e36commit hash: cd3d8ed6d30130940e7c3b36210e791d49310e36 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-mrchem: New port: MultiResolution Chemistry

Number of commits found: 7