Port details |
- mctc-lib Computation tool chain library to work with molecular structure data
- 0.3.1_1 science
=0 0.3.1_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
![search for ports maintained by this maintainer search for ports maintained by this maintainer](/images/search.jpg) - Port Added: 2022-01-04 19:39:04
- Last Update: 2023-04-23 09:09:58
- Commit Hash: 8d3e020
- License: APACHE20
- WWW:
- https://grimme-lab.github.io/mctc-lib/
- Description:
- Common tool chain for working with molecular structure data in various
applications. This library provides a unified way to perform
operations on molecular structure data, like reading and writing to
common geometry file formats.
¦ ¦ ¦ ¦ ![SVNWeb - no subversion history for this port SVNWeb - no subversion history for this port](/images/subversion-greyed.png)
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- mctc-lib>0:science/mctc-lib
- To install the port:
- cd /usr/ports/science/mctc-lib/ && make install clean
- To add the package, run one of these commands:
- pkg install science/mctc-lib
- pkg install mctc-lib
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: mctc-lib
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1659543585
SHA256 (grimme-lab-mctc-lib-v0.3.1_GH0.tar.gz) = 03dc8ccba37413da70e55a07cef8e8de53bce33f5bb52c1f8db5fec326abe083
SIZE (grimme-lab-mctc-lib-v0.3.1_GH0.tar.gz) = 130801
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- cmake : devel/cmake-core
- gfortran12 : lang/gcc12
- as : devel/binutils
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- This port is required by:
- for Libraries
-
- science/dftbplus
- science/dftd4
- science/mstore
- science/multicharge
- science/simple-dftd3
- science/tblite
- science/xtb
Configuration Options:
- No options to configure
- Options name:
- science_mctc-lib
- USES:
- cmake:testing fortran
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Number of commits found: 9
Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
Commit | Credits | Log message |
0.3.1_1 23 Apr 2023 09:09:58
![commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b](/images/git.png) ![commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b](/images/codeberg.svg) ![commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Gerald Pfeifer (gerald) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
07 Sep 2022 21:58:51
![commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4](/images/git.png) ![commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4](/images/codeberg.svg) ![commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Stefan Eßer (se) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
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) |
0.3.1 07 Sep 2022 21:10:59
![commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52](/images/git.png) ![commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52](/images/codeberg.svg) ![commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Stefan Eßer (se) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
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 ) |
0.3.1 03 Aug 2022 17:30:42
![commit hash: adefca3268518df68b3626dc9bde3b12df305b47 commit hash: adefca3268518df68b3626dc9bde3b12df305b47](/images/git.png) ![commit hash: adefca3268518df68b3626dc9bde3b12df305b47 commit hash: adefca3268518df68b3626dc9bde3b12df305b47](/images/codeberg.svg) ![commit hash: adefca3268518df68b3626dc9bde3b12df305b47 commit hash: adefca3268518df68b3626dc9bde3b12df305b47](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Yuri Victorovich (yuri) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
science/mctc-lib: Update 0.3.0 -> 0.3.1 |
0.3.0 20 Apr 2022 03:40:01
![commit hash: a041184a349594a29741f09be5c61e669cae305a commit hash: a041184a349594a29741f09be5c61e669cae305a](/images/git.png) ![commit hash: a041184a349594a29741f09be5c61e669cae305a commit hash: a041184a349594a29741f09be5c61e669cae305a](/images/codeberg.svg) ![commit hash: a041184a349594a29741f09be5c61e669cae305a commit hash: a041184a349594a29741f09be5c61e669cae305a](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Yuri Victorovich (yuri) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
science/mctc-lib: Update 0.2.5 -> 0.3.0
Reported by: portscout |
0.2.5 27 Feb 2022 18:35:39
![commit hash: 1f66e54541086fbc6356b5b500c88c4b0ee36ae9 commit hash: 1f66e54541086fbc6356b5b500c88c4b0ee36ae9](/images/git.png) ![commit hash: 1f66e54541086fbc6356b5b500c88c4b0ee36ae9 commit hash: 1f66e54541086fbc6356b5b500c88c4b0ee36ae9](/images/codeberg.svg) ![commit hash: 1f66e54541086fbc6356b5b500c88c4b0ee36ae9 commit hash: 1f66e54541086fbc6356b5b500c88c4b0ee36ae9](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Yuri Victorovich (yuri) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
science/mctc-lib: Update 0.2.4 -> 0.2.5
Reported by: portscout |
0.2.4_1 18 Jan 2022 20:12:05
![commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326 commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326](/images/git.png) ![commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326 commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326](/images/codeberg.svg) ![commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326 commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Yuri Victorovich (yuri) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
*/*: In 7 ports remove GNU-10.3.0 from install paths
This makes them prone to breaking when GCC version is changed.
Reported by: diizzy@ |
0.2.4 18 Jan 2022 18:42:44
![commit hash: 07318c2f03d9e544ddee80ac30ddab805451ecb5 commit hash: 07318c2f03d9e544ddee80ac30ddab805451ecb5](/images/git.png) ![commit hash: 07318c2f03d9e544ddee80ac30ddab805451ecb5 commit hash: 07318c2f03d9e544ddee80ac30ddab805451ecb5](/images/codeberg.svg) ![commit hash: 07318c2f03d9e544ddee80ac30ddab805451ecb5 commit hash: 07318c2f03d9e544ddee80ac30ddab805451ecb5](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Yuri Victorovich (yuri) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
science/mctc-lib: Update 0.2.3 -> 0.2.4
Reported by: portscout |
0.2.3 04 Jan 2022 19:36:13
![commit hash: d40ba16676ecd40fd3b0e5f13a5fe2d7484b0b57 commit hash: d40ba16676ecd40fd3b0e5f13a5fe2d7484b0b57](/images/git.png) ![commit hash: d40ba16676ecd40fd3b0e5f13a5fe2d7484b0b57 commit hash: d40ba16676ecd40fd3b0e5f13a5fe2d7484b0b57](/images/codeberg.svg) ![commit hash: d40ba16676ecd40fd3b0e5f13a5fe2d7484b0b57 commit hash: d40ba16676ecd40fd3b0e5f13a5fe2d7484b0b57](/images/github.svg) ![files touched by this commit files touched by this commit](/images/logs.gif) |
Yuri Victorovich (yuri) ![search for other commits by this committer search for other commits by this committer](/images/search.jpg) |
science/mctc-lib: New port: Computation tool chain library to work with
molecular structure data |
Number of commits found: 9
|